(4S)-4-(1-benzofuran-3-yl)-N-(2,2-dimethoxyethyl)-2-ethoxy-3-(3-hydroxypropyl)-3,4-dihydro-2H-pyran-6-carboxamide;(4S)-4-(1-benzofuran-3-yl)-2-ethoxy-N-[4-(5-hydroxy-1,3-dioxoinden-2-yl)-3-methylphenyl]-3-(3-hydroxypropyl)-3,4-dihydro-2H-pyran-6-carboxamide;(4S)-4-(1-benzofuran-3-yl)-2-ethoxy-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-3,4-dihydro-2H-pyran-6-carboxamide;(4R)-N-benzyl-4-(furan-3-yl)-2-[2-[2-hydroxyethyl-(4-methoxyphenyl)sulfonylamino]ethoxy]-3,4-dihydro-2H-pyran-6-carboxamide;(4S)-N-(2-bicyclo[2.2.1]heptanyl)-2-ethoxy-4-(furan-3-yl)-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-3,4-dihydro-2H-pyran-6-carboxamide;2-cyclohexyl-1-[(4S)-2-ethoxy-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-4-propan-2-yl-3,4-dihydro-2H-pyran-6-yl]propan-1-one

C169H217N7O44S — CID 160676342

IUPAC(4S)-4-(1-benzofuran-3-yl)-N-(2,2-dimethoxyethyl)-2-ethoxy-3-(3-hydroxypropyl)-3,4-dihydro-2H-pyran-6-carboxamide;(4S)-4-(1-benzofuran-3-yl)-2-ethoxy-N-[4-(5-hydroxy-1,3-dioxoinden-2-yl)-3-methylphenyl]-3-(3-hydroxypropyl)-3,4-dihydro-2H-pyran-6-carboxamide;(4S)-4-(1-benzofuran-3-yl)-2-ethoxy-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-3,4-dihydro-2H-pyran-6-carboxamide;(4R)-N-benzyl-4-(furan-3-yl)-2-[2-[2-hydroxyethyl-(4-methoxyphenyl)sulfonylamino]ethoxy]-3,4-dihydro-2H-pyran-6-carboxamide;(4S)-N-(2-bicyclo[2.2.1]heptanyl)-2-ethoxy-4-(furan-3-yl)-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-3,4-dihydro-2H-pyran-6-carboxamide;2-cyclohexyl-1-[(4S)-2-ethoxy-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-4-propan-2-yl-3,4-dihydro-2H-pyran-6-yl]propan-1-one
SMILESCCOC1OC(C(=O)C(C)C2CCCCC2)=C[C@H](C(C)C)C1CCOCCOCCO.CCOC1OC(C(=O)NC2CC3CCC2C3)=C[C@H](c2ccoc2)C1CCOCCOCCO.CCOC1OC(C(=O)NCC(OC)OC)=C[C@H](c2coc3ccccc23)C1CCCO.CCOC1OC(C(=O)NCCc2c[nH]c3ccc(OC)cc23)=C[C@H](c2coc3ccccc23)C1CCOCCOCCO.CCOC1OC(C(=O)Nc2ccc(C3C(=O)c4ccc(O)cc4C3=O)c(C)c2)=C[C@H](c2coc3ccccc23)C1CCCO.COc1ccc(S(=O)(=O)N(CCO)CCOC2C[C@@H](c3ccoc3)C=C(C(=O)NCc3ccccc3)O2)cc1
InChIInChI=1S/C35H33NO8.C33H40N2O8.C28H32N2O8S.C25H37NO7.C25H44O6.C23H31NO7/c1-3-42-35-25(8-6-14-37)26(28-18-43-29-9-5-4-7-23(28)29)17-30(44-35)34(41)36-20-10-12-22(19(2)15-20)31-32(39)24-13-11-21(38)16-27(24)33(31)40;1-3-41-33-25(11-14-39-16-17-40-15-13-36)27(28-21-42-30-7-5-4-6-24(28)30)19-31(43-33)32(37)34-12-10-22-20-35-29-9-8-23(38-2)18-26(22)29;1-35-24-7-9-25(10-8-24)39(33,34)30(12-14-31)13-16-37-27-18-23(22-11-15-36-20-22)17-26(38-27)28(32)29-19-21-5-3-2-4-6-21;1-2-32-25-20(6-9-29-11-12-30-10-7-27)21(19-5-8-31-16-19)15-23(33-25)24(28)26-22-14-17-3-4-18(22)13-17;1-5-30-25-21(11-13-28-15-16-29-14-12-26)22(18(2)3)17-23(31-25)24(27)19(4)20-9-7-6-8-10-20;1-4-29-23-16(9-7-11-25)17(18-14-30-19-10-6-5-8-15(18)19)12-20(31-23)22(26)24-13-21(27-2)28-3/h4-5,7,9-13,15-18,25-26,31,35,37-38H,3,6,8,14H2,1-2H3,(H,36,41);4-9,18-21,25,27,33,35-36H,3,10-17H2,1-2H3,(H,34,37);2-11,15,17,20,23,27,31H,12-14,16,18-19H2,1H3,(H,29,32);5,8,15-18,20-22,25,27H,2-4,6-7,9-14H2,1H3,(H,26,28);17-22,25-26H,5-16H2,1-4H3;5-6,8,10,12,14,16-17,21,23,25H,4,7,9,11,13H2,1-3H3,(H,24,26)/t25?,26-,31?,35?;25?,27-,33?;23-,27?;17?,18?,20?,21-,22?,25?;19?,21?,22-,25?;16?,17-,23?/m000110/s1
InChIKeyRNOPWZGQIAKJKA-IKIBZZAJSA-N
MW3082.67 g/mol
LogP23.94
Rot. Bonds76

About (4S)-4-(1-benzofuran-3-yl)-N-(2,2-dimethoxyethyl)-2-ethoxy-3-(3-hydroxypropyl)-3,4-dihydro-2H-pyran-6-carboxamide;(4S)-4-(1-benzofuran-3-yl)-2-ethoxy-N-[4-(5-hydroxy-1,3-dioxoinden-2-yl)-3-methylphenyl]-3-(3-hydroxypropyl)-3,4-dihydro-2H-pyran-6-carboxamide;(4S)-4-(1-benzofuran-3-yl)-2-ethoxy-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-3,4-dihydro-2H-pyran-6-carboxamide;(4R)-N-benzyl-4-(furan-3-yl)-2-[2-[2-hydroxyethyl-(4-methoxyphenyl)sulfonylamino]ethoxy]-3,4-dihydro-2H-pyran-6-carboxamide;(4S)-N-(2-bicyclo[2.2.1]heptanyl)-2-ethoxy-4-(furan-3-yl)-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-3,4-dihydro-2H-pyran-6-carboxamide;2-cyclohexyl-1-[(4S)-2-ethoxy-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-4-propan-2-yl-3,4-dihydro-2H-pyran-6-yl]propan-1-one

(4S)-4-(1-benzofuran-3-yl)-N-(2,2-dimethoxyethyl)-2-ethoxy-3-(3-hydroxypropyl)-3,4-dihydro-2H-pyran-6-carboxamide;(4S)-4-(1-benzofuran-3-yl)-2-ethoxy-N-[4-(5-hydroxy-1,3-dioxoinden-2-yl)-3-methylphenyl]-3-(3-hydroxypropyl)-3,4-dihydro-2H-pyran-6-carboxamide;(4S)-4-(1-benzofuran-3-yl)-2-ethoxy-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-3,4-dihydro-2H-pyran-6-carboxamide;(4R)-N-benzyl-4-(furan-3-yl)-2-[2-[2-hydroxyethyl-(4-methoxyphenyl)sulfonylamino]ethoxy]-3,4-dihydro-2H-pyran-6-carboxamide;(4S)-N-(2-bicyclo[2.2.1]heptanyl)-2-ethoxy-4-(furan-3-yl)-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-3,4-dihydro-2H-pyran-6-carboxamide;2-cyclohexyl-1-[(4S)-2-ethoxy-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-4-propan-2-yl-3,4-dihydro-2H-pyran-6-yl]propan-1-one (PubChem CID 160676342) has the molecular formula C169H217N7O44S and a molecular weight of 3082.67 g/mol. Its IUPAC name is (4S)-4-(1-benzofuran-3-yl)-N-(2,2-dimethoxyethyl)-2-ethoxy-3-(3-hydroxypropyl)-3,4-dihydro-2H-pyran-6-carboxamide;(4S)-4-(1-benzofuran-3-yl)-2-ethoxy-N-[4-(5-hydroxy-1,3-dioxoinden-2-yl)-3-methylphenyl]-3-(3-hydroxypropyl)-3,4-dihydro-2H-pyran-6-carboxamide;(4S)-4-(1-benzofuran-3-yl)-2-ethoxy-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-3,4-dihydro-2H-pyran-6-carboxamide;(4R)-N-benzyl-4-(furan-3-yl)-2-[2-[2-hydroxyethyl-(4-methoxyphenyl)sulfonylamino]ethoxy]-3,4-dihydro-2H-pyran-6-carboxamide;(4S)-N-(2-bicyclo[2.2.1]heptanyl)-2-ethoxy-4-(furan-3-yl)-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-3,4-dihydro-2H-pyran-6-carboxamide;2-cyclohexyl-1-[(4S)-2-ethoxy-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-4-propan-2-yl-3,4-dihydro-2H-pyran-6-yl]propan-1-one.

Molecular Properties

Compound Name(4S)-4-(1-benzofuran-3-yl)-N-(2,2-dimethoxyethyl)-2-ethoxy-3-(3-hydroxypropyl)-3,4-dihydro-2H-pyran-6-carboxamide;(4S)-4-(1-benzofuran-3-yl)-2-ethoxy-N-[4-(5-hydroxy-1,3-dioxoinden-2-yl)-3-methylphenyl]-3-(3-hydroxypropyl)-3,4-dihydro-2H-pyran-6-carboxamide;(4S)-4-(1-benzofuran-3-yl)-2-ethoxy-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-3,4-dihydro-2H-pyran-6-carboxamide;(4R)-N-benzyl-4-(furan-3-yl)-2-[2-[2-hydroxyethyl-(4-methoxyphenyl)sulfonylamino]ethoxy]-3,4-dihydro-2H-pyran-6-carboxamide;(4S)-N-(2-bicyclo[2.2.1]heptanyl)-2-ethoxy-4-(furan-3-yl)-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-3,4-dihydro-2H-pyran-6-carboxamide;2-cyclohexyl-1-[(4S)-2-ethoxy-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-4-propan-2-yl-3,4-dihydro-2H-pyran-6-yl]propan-1-one
PubChem CID160676342
Molecular FormulaC169H217N7O44S
Molecular Weight3082.67 g/mol
Exact Mass3080.47
IUPAC Name(4S)-4-(1-benzofuran-3-yl)-N-(2,2-dimethoxyethyl)-2-ethoxy-3-(3-hydroxypropyl)-3,4-dihydro-2H-pyran-6-carboxamide;(4S)-4-(1-benzofuran-3-yl)-2-ethoxy-N-[4-(5-hydroxy-1,3-dioxoinden-2-yl)-3-methylphenyl]-3-(3-hydroxypropyl)-3,4-dihydro-2H-pyran-6-carboxamide;(4S)-4-(1-benzofuran-3-yl)-2-ethoxy-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-3,4-dihydro-2H-pyran-6-carboxamide;(4R)-N-benzyl-4-(furan-3-yl)-2-[2-[2-hydroxyethyl-(4-methoxyphenyl)sulfonylamino]ethoxy]-3,4-dihydro-2H-pyran-6-carboxamide;(4S)-N-(2-bicyclo[2.2.1]heptanyl)-2-ethoxy-4-(furan-3-yl)-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-3,4-dihydro-2H-pyran-6-carboxamide;2-cyclohexyl-1-[(4S)-2-ethoxy-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-4-propan-2-yl-3,4-dihydro-2H-pyran-6-yl]propan-1-one
SMILESCCOC1OC(C(=O)C(C)C2CCCCC2)=C[C@H](C(C)C)C1CCOCCOCCO.CCOC1OC(C(=O)NC2CC3CCC2C3)=C[C@H](c2ccoc2)C1CCOCCOCCO.CCOC1OC(C(=O)NCC(OC)OC)=C[C@H](c2coc3ccccc23)C1CCCO.CCOC1OC(C(=O)NCCc2c[nH]c3ccc(OC)cc23)=C[C@H](c2coc3ccccc23)C1CCOCCOCCO.CCOC1OC(C(=O)Nc2ccc(C3C(=O)c4ccc(O)cc4C3=O)c(C)c2)=C[C@H](c2coc3ccccc23)C1CCCO.COc1ccc(S(=O)(=O)N(CCO)CCOC2C[C@@H](c3ccoc3)C=C(C(=O)NCc3ccccc3)O2)cc1
InChIInChI=1S/C35H33NO8.C33H40N2O8.C28H32N2O8S.C25H37NO7.C25H44O6.C23H31NO7/c1-3-42-35-25(8-6-14-37)26(28-18-43-29-9-5-4-7-23(28)29)17-30(44-35)34(41)36-20-10-12-22(19(2)15-20)31-32(39)24-13-11-21(38)16-27(24)33(31)40;1-3-41-33-25(11-14-39-16-17-40-15-13-36)27(28-21-42-30-7-5-4-6-24(28)30)19-31(43-33)32(37)34-12-10-22-20-35-29-9-8-23(38-2)18-26(22)29;1-35-24-7-9-25(10-8-24)39(33,34)30(12-14-31)13-16-37-27-18-23(22-11-15-36-20-22)17-26(38-27)28(32)29-19-21-5-3-2-4-6-21;1-2-32-25-20(6-9-29-11-12-30-10-7-27)21(19-5-8-31-16-19)15-23(33-25)24(28)26-22-14-17-3-4-18(22)13-17;1-5-30-25-21(11-13-28-15-16-29-14-12-26)22(18(2)3)17-23(31-25)24(27)19(4)20-9-7-6-8-10-20;1-4-29-23-16(9-7-11-25)17(18-14-30-19-10-6-5-8-15(18)19)12-20(31-23)22(26)24-13-21(27-2)28-3/h4-5,7,9-13,15-18,25-26,31,35,37-38H,3,6,8,14H2,1-2H3,(H,36,41);4-9,18-21,25,27,33,35-36H,3,10-17H2,1-2H3,(H,34,37);2-11,15,17,20,23,27,31H,12-14,16,18-19H2,1H3,(H,29,32);5,8,15-18,20-22,25,27H,2-4,6-7,9-14H2,1H3,(H,26,28);17-22,25-26H,5-16H2,1-4H3;5-6,8,10,12,14,16-17,21,23,25H,4,7,9,11,13H2,1-3H3,(H,24,26)/t25?,26-,31?,35?;25?,27-,33?;23-,27?;17?,18?,20?,21-,22?,25?;19?,21?,22-,25?;16?,17-,23?/m000110/s1
InChIKeyRNOPWZGQIAKJKA-IKIBZZAJSA-N
XLogP23.94
TPSA660.25 Ų
H-Bond Donors13
H-Bond Acceptors44
Rotatable Bonds76
Heavy Atoms221
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003082.67
LogP ≤ 523.94
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1044

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'keto_keto_beta_A(68)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze (4S)-4-(1-benzofuran-3-yl)-N-(2,2-dimethoxyethyl)-2-ethoxy-3-(3-hydroxypropyl)-3,4-dihydro-2H-pyran-6-carboxamide;(4S)-4-(1-benzofuran-3-yl)-2-ethoxy-N-[4-(5-hydroxy-1,3-dioxoinden-2-yl)-3-methylphenyl]-3-(3-hydroxypropyl)-3,4-dihydro-2H-pyran-6-carboxamide;(4S)-4-(1-benzofuran-3-yl)-2-ethoxy-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-3,4-dihydro-2H-pyran-6-carboxamide;(4R)-N-benzyl-4-(furan-3-yl)-2-[2-[2-hydroxyethyl-(4-methoxyphenyl)sulfonylamino]ethoxy]-3,4-dihydro-2H-pyran-6-carboxamide;(4S)-N-(2-bicyclo[2.2.1]heptanyl)-2-ethoxy-4-(furan-3-yl)-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-3,4-dihydro-2H-pyran-6-carboxamide;2-cyclohexyl-1-[(4S)-2-ethoxy-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-4-propan-2-yl-3,4-dihydro-2H-pyran-6-yl]propan-1-one with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of (4S)-4-(1-benzofuran-3-yl)-N-(2,2-dimethoxyethyl)-2-ethoxy-3-(3-hydroxypropyl)-3,4-dihydro-2H-pyran-6-carboxamide;(4S)-4-(1-benzofuran-3-yl)-2-ethoxy-N-[4-(5-hydroxy-1,3-dioxoinden-2-yl)-3-methylphenyl]-3-(3-hydroxypropyl)-3,4-dihydro-2H-pyran-6-carboxamide;(4S)-4-(1-benzofuran-3-yl)-2-ethoxy-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-3,4-dihydro-2H-pyran-6-carboxamide;(4R)-N-benzyl-4-(furan-3-yl)-2-[2-[2-hydroxyethyl-(4-methoxyphenyl)sulfonylamino]ethoxy]-3,4-dihydro-2H-pyran-6-carboxamide;(4S)-N-(2-bicyclo[2.2.1]heptanyl)-2-ethoxy-4-(furan-3-yl)-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-3,4-dihydro-2H-pyran-6-carboxamide;2-cyclohexyl-1-[(4S)-2-ethoxy-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-4-propan-2-yl-3,4-dihydro-2H-pyran-6-yl]propan-1-one?
The IUPAC name of (4S)-4-(1-benzofuran-3-yl)-N-(2,2-dimethoxyethyl)-2-ethoxy-3-(3-hydroxypropyl)-3,4-dihydro-2H-pyran-6-carboxamide;(4S)-4-(1-benzofuran-3-yl)-2-ethoxy-N-[4-(5-hydroxy-1,3-dioxoinden-2-yl)-3-methylphenyl]-3-(3-hydroxypropyl)-3,4-dihydro-2H-pyran-6-carboxamide;(4S)-4-(1-benzofuran-3-yl)-2-ethoxy-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-3,4-dihydro-2H-pyran-6-carboxamide;(4R)-N-benzyl-4-(furan-3-yl)-2-[2-[2-hydroxyethyl-(4-methoxyphenyl)sulfonylamino]ethoxy]-3,4-dihydro-2H-pyran-6-carboxamide;(4S)-N-(2-bicyclo[2.2.1]heptanyl)-2-ethoxy-4-(furan-3-yl)-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-3,4-dihydro-2H-pyran-6-carboxamide;2-cyclohexyl-1-[(4S)-2-ethoxy-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-4-propan-2-yl-3,4-dihydro-2H-pyran-6-yl]propan-1-one (CID 160676342) is (4S)-4-(1-benzofuran-3-yl)-N-(2,2-dimethoxyethyl)-2-ethoxy-3-(3-hydroxypropyl)-3,4-dihydro-2H-pyran-6-carboxamide;(4S)-4-(1-benzofuran-3-yl)-2-ethoxy-N-[4-(5-hydroxy-1,3-dioxoinden-2-yl)-3-methylphenyl]-3-(3-hydroxypropyl)-3,4-dihydro-2H-pyran-6-carboxamide;(4S)-4-(1-benzofuran-3-yl)-2-ethoxy-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-3,4-dihydro-2H-pyran-6-carboxamide;(4R)-N-benzyl-4-(furan-3-yl)-2-[2-[2-hydroxyethyl-(4-methoxyphenyl)sulfonylamino]ethoxy]-3,4-dihydro-2H-pyran-6-carboxamide;(4S)-N-(2-bicyclo[2.2.1]heptanyl)-2-ethoxy-4-(furan-3-yl)-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-3,4-dihydro-2H-pyran-6-carboxamide;2-cyclohexyl-1-[(4S)-2-ethoxy-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-4-propan-2-yl-3,4-dihydro-2H-pyran-6-yl]propan-1-one.
What is the SMILES notation for (4S)-4-(1-benzofuran-3-yl)-N-(2,2-dimethoxyethyl)-2-ethoxy-3-(3-hydroxypropyl)-3,4-dihydro-2H-pyran-6-carboxamide;(4S)-4-(1-benzofuran-3-yl)-2-ethoxy-N-[4-(5-hydroxy-1,3-dioxoinden-2-yl)-3-methylphenyl]-3-(3-hydroxypropyl)-3,4-dihydro-2H-pyran-6-carboxamide;(4S)-4-(1-benzofuran-3-yl)-2-ethoxy-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-3,4-dihydro-2H-pyran-6-carboxamide;(4R)-N-benzyl-4-(furan-3-yl)-2-[2-[2-hydroxyethyl-(4-methoxyphenyl)sulfonylamino]ethoxy]-3,4-dihydro-2H-pyran-6-carboxamide;(4S)-N-(2-bicyclo[2.2.1]heptanyl)-2-ethoxy-4-(furan-3-yl)-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-3,4-dihydro-2H-pyran-6-carboxamide;2-cyclohexyl-1-[(4S)-2-ethoxy-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-4-propan-2-yl-3,4-dihydro-2H-pyran-6-yl]propan-1-one?
The canonical SMILES for (4S)-4-(1-benzofuran-3-yl)-N-(2,2-dimethoxyethyl)-2-ethoxy-3-(3-hydroxypropyl)-3,4-dihydro-2H-pyran-6-carboxamide;(4S)-4-(1-benzofuran-3-yl)-2-ethoxy-N-[4-(5-hydroxy-1,3-dioxoinden-2-yl)-3-methylphenyl]-3-(3-hydroxypropyl)-3,4-dihydro-2H-pyran-6-carboxamide;(4S)-4-(1-benzofuran-3-yl)-2-ethoxy-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-3,4-dihydro-2H-pyran-6-carboxamide;(4R)-N-benzyl-4-(furan-3-yl)-2-[2-[2-hydroxyethyl-(4-methoxyphenyl)sulfonylamino]ethoxy]-3,4-dihydro-2H-pyran-6-carboxamide;(4S)-N-(2-bicyclo[2.2.1]heptanyl)-2-ethoxy-4-(furan-3-yl)-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-3,4-dihydro-2H-pyran-6-carboxamide;2-cyclohexyl-1-[(4S)-2-ethoxy-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-4-propan-2-yl-3,4-dihydro-2H-pyran-6-yl]propan-1-one is CCOC1OC(C(=O)C(C)C2CCCCC2)=C[C@H](C(C)C)C1CCOCCOCCO.CCOC1OC(C(=O)NC2CC3CCC2C3)=C[C@H](c2ccoc2)C1CCOCCOCCO.CCOC1OC(C(=O)NCC(OC)OC)=C[C@H](c2coc3ccccc23)C1CCCO.CCOC1OC(C(=O)NCCc2c[nH]c3ccc(OC)cc23)=C[C@H](c2coc3ccccc23)C1CCOCCOCCO.CCOC1OC(C(=O)Nc2ccc(C3C(=O)c4ccc(O)cc4C3=O)c(C)c2)=C[C@H](c2coc3ccccc23)C1CCCO.COc1ccc(S(=O)(=O)N(CCO)CCOC2C[C@@H](c3ccoc3)C=C(C(=O)NCc3ccccc3)O2)cc1.
What is the InChIKey of (4S)-4-(1-benzofuran-3-yl)-N-(2,2-dimethoxyethyl)-2-ethoxy-3-(3-hydroxypropyl)-3,4-dihydro-2H-pyran-6-carboxamide;(4S)-4-(1-benzofuran-3-yl)-2-ethoxy-N-[4-(5-hydroxy-1,3-dioxoinden-2-yl)-3-methylphenyl]-3-(3-hydroxypropyl)-3,4-dihydro-2H-pyran-6-carboxamide;(4S)-4-(1-benzofuran-3-yl)-2-ethoxy-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-3,4-dihydro-2H-pyran-6-carboxamide;(4R)-N-benzyl-4-(furan-3-yl)-2-[2-[2-hydroxyethyl-(4-methoxyphenyl)sulfonylamino]ethoxy]-3,4-dihydro-2H-pyran-6-carboxamide;(4S)-N-(2-bicyclo[2.2.1]heptanyl)-2-ethoxy-4-(furan-3-yl)-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-3,4-dihydro-2H-pyran-6-carboxamide;2-cyclohexyl-1-[(4S)-2-ethoxy-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-4-propan-2-yl-3,4-dihydro-2H-pyran-6-yl]propan-1-one?
The InChIKey is RNOPWZGQIAKJKA-IKIBZZAJSA-N. The full InChI is InChI=1S/C35H33NO8.C33H40N2O8.C28H32N2O8S.C25H37NO7.C25H44O6.C23H31NO7/c1-3-42-35-25(8-6-14-37)26(28-18-43-29-9-5-4-7-23(28)29)17-30(44-35)34(41)36-20-10-12-22(19(2)15-20)31-32(39)24-13-11-21(38)16-27(24)33(31)40;1-3-41-33-25(11-14-39-16-17-40-15-13-36)27(28-21-42-30-7-5-4-6-24(28)30)19-31(43-33)32(37)34-12-10-22-20-35-29-9-8-23(38-2)18-26(22)29;1-35-24-7-9-25(10-8-24)39(33,34)30(12-14-31)13-16-37-27-18-23(22-11-15-36-20-22)17-26(38-27)28(32)29-19-21-5-3-2-4-6-21;1-2-32-25-20(6-9-29-11-12-30-10-7-27)21(19-5-8-31-16-19)15-23(33-25)24(28)26-22-14-17-3-4-18(22)13-17;1-5-30-25-21(11-13-28-15-16-29-14-12-26)22(18(2)3)17-23(31-25)24(27)19(4)20-9-7-6-8-10-20;1-4-29-23-16(9-7-11-25)17(18-14-30-19-10-6-5-8-15(18)19)12-20(31-23)22(26)24-13-21(27-2)28-3/h4-5,7,9-13,15-18,25-26,31,35,37-38H,3,6,8,14H2,1-2H3,(H,36,41);4-9,18-21,25,27,33,35-36H,3,10-17H2,1-2H3,(H,34,37);2-11,15,17,20,23,27,31H,12-14,16,18-19H2,1H3,(H,29,32);5,8,15-18,20-22,25,27H,2-4,6-7,9-14H2,1H3,(H,26,28);17-22,25-26H,5-16H2,1-4H3;5-6,8,10,12,14,16-17,21,23,25H,4,7,9,11,13H2,1-3H3,(H,24,26)/t25?,26-,31?,35?;25?,27-,33?;23-,27?;17?,18?,20?,21-,22?,25?;19?,21?,22-,25?;16?,17-,23?/m000110/s1.
What are the key properties of (4S)-4-(1-benzofuran-3-yl)-N-(2,2-dimethoxyethyl)-2-ethoxy-3-(3-hydroxypropyl)-3,4-dihydro-2H-pyran-6-carboxamide;(4S)-4-(1-benzofuran-3-yl)-2-ethoxy-N-[4-(5-hydroxy-1,3-dioxoinden-2-yl)-3-methylphenyl]-3-(3-hydroxypropyl)-3,4-dihydro-2H-pyran-6-carboxamide;(4S)-4-(1-benzofuran-3-yl)-2-ethoxy-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-3,4-dihydro-2H-pyran-6-carboxamide;(4R)-N-benzyl-4-(furan-3-yl)-2-[2-[2-hydroxyethyl-(4-methoxyphenyl)sulfonylamino]ethoxy]-3,4-dihydro-2H-pyran-6-carboxamide;(4S)-N-(2-bicyclo[2.2.1]heptanyl)-2-ethoxy-4-(furan-3-yl)-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-3,4-dihydro-2H-pyran-6-carboxamide;2-cyclohexyl-1-[(4S)-2-ethoxy-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-4-propan-2-yl-3,4-dihydro-2H-pyran-6-yl]propan-1-one?
(4S)-4-(1-benzofuran-3-yl)-N-(2,2-dimethoxyethyl)-2-ethoxy-3-(3-hydroxypropyl)-3,4-dihydro-2H-pyran-6-carboxamide;(4S)-4-(1-benzofuran-3-yl)-2-ethoxy-N-[4-(5-hydroxy-1,3-dioxoinden-2-yl)-3-methylphenyl]-3-(3-hydroxypropyl)-3,4-dihydro-2H-pyran-6-carboxamide;(4S)-4-(1-benzofuran-3-yl)-2-ethoxy-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-3,4-dihydro-2H-pyran-6-carboxamide;(4R)-N-benzyl-4-(furan-3-yl)-2-[2-[2-hydroxyethyl-(4-methoxyphenyl)sulfonylamino]ethoxy]-3,4-dihydro-2H-pyran-6-carboxamide;(4S)-N-(2-bicyclo[2.2.1]heptanyl)-2-ethoxy-4-(furan-3-yl)-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-3,4-dihydro-2H-pyran-6-carboxamide;2-cyclohexyl-1-[(4S)-2-ethoxy-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-4-propan-2-yl-3,4-dihydro-2H-pyran-6-yl]propan-1-one has a molecular weight of 3082.67 g/mol, XLogP of 23.94, 76 rotatable bonds, 13 hydrogen bond donors, and 44 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(1-benzofuran-3-yl)-N-(2,2-dimethoxyethyl)-2-ethoxy-3-(3-hydroxypropyl)-3,4-dihydro-2H-pyran-6-carboxamide;(4S)-4-(1-benzofuran-3-yl)-2-ethoxy-N-[4-(5-hydroxy-1,3-dioxoinden-2-yl)-3-methylphenyl]-3-(3-hydroxypropyl)-3,4-dihydro-2H-pyran-6-carboxamide;(4S)-4-(1-benzofuran-3-yl)-2-ethoxy-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-3,4-dihydro-2H-pyran-6-carboxamide;(4R)-N-benzyl-4-(furan-3-yl)-2-[2-[2-hydroxyethyl-(4-methoxyphenyl)sulfonylamino]ethoxy]-3,4-dihydro-2H-pyran-6-carboxamide;(4S)-N-(2-bicyclo[2.2.1]heptanyl)-2-ethoxy-4-(furan-3-yl)-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-3,4-dihydro-2H-pyran-6-carboxamide;2-cyclohexyl-1-[(4S)-2-ethoxy-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-4-propan-2-yl-3,4-dihydro-2H-pyran-6-yl]propan-1-one is sourced from PubChem (CID 160676342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).