(3S,4S)-4-(1-benzofuran-3-yl)-N-(2,2-dimethoxyethyl)-2-ethoxy-3-(3-hydroxypropyl)-N-methyl-3,4-dihydro-2H-pyran-6-carboxamide;(2R,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-2-[2-[2-hydroxyethyl-(4-methoxyphenyl)sulfonylamino]ethoxy]-4-thiophen-3-yl-3,4-dihydro-2H-pyran-6-carboxamide;(2R,4S)-N-(2-bicyclo[2.2.1]heptanyl)-2-ethoxy-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-4-thiophen-3-yl-3,4-dihydro-2H-pyran-6-carboxamide;(2R,4S)-N-cyclohexyl-2-ethoxy-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-N-methyl-4-propan-2-yl-3,4-dihydro-2H-pyran-6-carboxamide

C134H185N7O34S3 — CID 158706206

IUPAC(3S,4S)-4-(1-benzofuran-3-yl)-N-(2,2-dimethoxyethyl)-2-ethoxy-3-(3-hydroxypropyl)-N-methyl-3,4-dihydro-2H-pyran-6-carboxamide;(2R,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-2-[2-[2-hydroxyethyl-(4-methoxyphenyl)sulfonylamino]ethoxy]-4-thiophen-3-yl-3,4-dihydro-2H-pyran-6-carboxamide;(2R,4S)-N-(2-bicyclo[2.2.1]heptanyl)-2-ethoxy-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-4-thiophen-3-yl-3,4-dihydro-2H-pyran-6-carboxamide;(2R,4S)-N-cyclohexyl-2-ethoxy-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-N-methyl-4-propan-2-yl-3,4-dihydro-2H-pyran-6-carboxamide
SMILESCCOC1OC(C(=O)N(C)CC(OC)OC)=C[C@H](c2coc3ccccc23)[C@@H]1CCCO.CCO[C@@H]1OC(C(=O)N(C)C2CCCCC2)=C[C@H](C(C)C)C1CCOCCOCCO.CCO[C@@H]1OC(C(=O)NC2CC3CCC2C3)=C[C@H](c2ccsc2)C1CCOCCOCCO.CCO[C@@H]1OC(C(=O)NCCc2c[nH]c3ccc(OC)cc23)=C[C@H](c2coc3ccccc23)C1CCOCCOCCO.COc1ccc(S(=O)(=O)N(CCO)CCOC2C[C@@H](c3ccsc3)C=C(C(=O)NCc3ccccc3)O2)cc1
InChIInChI=1S/C33H40N2O8.C28H32N2O7S2.C25H37NO6S.C24H33NO7.C24H43NO6/c1-3-41-33-25(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)13-15-36-27-18-23(22-11-16-38-20-22)17-26(37-27)28(32)29-19-21-5-3-2-4-6-21;1-2-31-25-20(5-8-29-10-11-30-9-7-27)21(19-6-12-33-16-19)15-23(32-25)24(28)26-22-14-17-3-4-18(22)13-17;1-5-30-24-17(10-8-12-26)18(19-15-31-20-11-7-6-9-16(19)20)13-21(32-24)23(27)25(2)14-22(28-3)29-4;1-5-30-24-20(11-13-28-15-16-29-14-12-26)21(18(2)3)17-22(31-24)23(27)25(4)19-9-7-6-8-10-19/h4-9,18-21,25,27,33,35-36H,3,10-17H2,1-2H3,(H,34,37);2-11,16-17,20,23,27,31H,12-15,18-19H2,1H3,(H,29,32);6,12,15-18,20-22,25,27H,2-5,7-11,13-14H2,1H3,(H,26,28);6-7,9,11,13,15,17-18,22,24,26H,5,8,10,12,14H2,1-4H3;17-21,24,26H,5-16H2,1-4H3/t25?,27-,33+;23-,27?;17?,18?,20?,21-,22?,25-;17-,18-,24?;20?,21-,24-/m00101/s1
InChIKeyIIDKSTNDMKAULT-FNPOCURWSA-N
MW2534.17 g/mol
LogP18.22
Rot. Bonds66

About (3S,4S)-4-(1-benzofuran-3-yl)-N-(2,2-dimethoxyethyl)-2-ethoxy-3-(3-hydroxypropyl)-N-methyl-3,4-dihydro-2H-pyran-6-carboxamide;(2R,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-2-[2-[2-hydroxyethyl-(4-methoxyphenyl)sulfonylamino]ethoxy]-4-thiophen-3-yl-3,4-dihydro-2H-pyran-6-carboxamide;(2R,4S)-N-(2-bicyclo[2.2.1]heptanyl)-2-ethoxy-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-4-thiophen-3-yl-3,4-dihydro-2H-pyran-6-carboxamide;(2R,4S)-N-cyclohexyl-2-ethoxy-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-N-methyl-4-propan-2-yl-3,4-dihydro-2H-pyran-6-carboxamide

(3S,4S)-4-(1-benzofuran-3-yl)-N-(2,2-dimethoxyethyl)-2-ethoxy-3-(3-hydroxypropyl)-N-methyl-3,4-dihydro-2H-pyran-6-carboxamide;(2R,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-2-[2-[2-hydroxyethyl-(4-methoxyphenyl)sulfonylamino]ethoxy]-4-thiophen-3-yl-3,4-dihydro-2H-pyran-6-carboxamide;(2R,4S)-N-(2-bicyclo[2.2.1]heptanyl)-2-ethoxy-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-4-thiophen-3-yl-3,4-dihydro-2H-pyran-6-carboxamide;(2R,4S)-N-cyclohexyl-2-ethoxy-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-N-methyl-4-propan-2-yl-3,4-dihydro-2H-pyran-6-carboxamide (PubChem CID 158706206) has the molecular formula C134H185N7O34S3 and a molecular weight of 2534.17 g/mol. Its IUPAC name is (3S,4S)-4-(1-benzofuran-3-yl)-N-(2,2-dimethoxyethyl)-2-ethoxy-3-(3-hydroxypropyl)-N-methyl-3,4-dihydro-2H-pyran-6-carboxamide;(2R,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-2-[2-[2-hydroxyethyl-(4-methoxyphenyl)sulfonylamino]ethoxy]-4-thiophen-3-yl-3,4-dihydro-2H-pyran-6-carboxamide;(2R,4S)-N-(2-bicyclo[2.2.1]heptanyl)-2-ethoxy-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-4-thiophen-3-yl-3,4-dihydro-2H-pyran-6-carboxamide;(2R,4S)-N-cyclohexyl-2-ethoxy-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-N-methyl-4-propan-2-yl-3,4-dihydro-2H-pyran-6-carboxamide.

Molecular Properties

Compound Name(3S,4S)-4-(1-benzofuran-3-yl)-N-(2,2-dimethoxyethyl)-2-ethoxy-3-(3-hydroxypropyl)-N-methyl-3,4-dihydro-2H-pyran-6-carboxamide;(2R,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-2-[2-[2-hydroxyethyl-(4-methoxyphenyl)sulfonylamino]ethoxy]-4-thiophen-3-yl-3,4-dihydro-2H-pyran-6-carboxamide;(2R,4S)-N-(2-bicyclo[2.2.1]heptanyl)-2-ethoxy-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-4-thiophen-3-yl-3,4-dihydro-2H-pyran-6-carboxamide;(2R,4S)-N-cyclohexyl-2-ethoxy-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-N-methyl-4-propan-2-yl-3,4-dihydro-2H-pyran-6-carboxamide
PubChem CID158706206
Molecular FormulaC134H185N7O34S3
Molecular Weight2534.17 g/mol
Exact Mass2532.21
IUPAC Name(3S,4S)-4-(1-benzofuran-3-yl)-N-(2,2-dimethoxyethyl)-2-ethoxy-3-(3-hydroxypropyl)-N-methyl-3,4-dihydro-2H-pyran-6-carboxamide;(2R,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-2-[2-[2-hydroxyethyl-(4-methoxyphenyl)sulfonylamino]ethoxy]-4-thiophen-3-yl-3,4-dihydro-2H-pyran-6-carboxamide;(2R,4S)-N-(2-bicyclo[2.2.1]heptanyl)-2-ethoxy-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-4-thiophen-3-yl-3,4-dihydro-2H-pyran-6-carboxamide;(2R,4S)-N-cyclohexyl-2-ethoxy-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-N-methyl-4-propan-2-yl-3,4-dihydro-2H-pyran-6-carboxamide
SMILESCCOC1OC(C(=O)N(C)CC(OC)OC)=C[C@H](c2coc3ccccc23)[C@@H]1CCCO.CCO[C@@H]1OC(C(=O)N(C)C2CCCCC2)=C[C@H](C(C)C)C1CCOCCOCCO.CCO[C@@H]1OC(C(=O)NC2CC3CCC2C3)=C[C@H](c2ccsc2)C1CCOCCOCCO.CCO[C@@H]1OC(C(=O)NCCc2c[nH]c3ccc(OC)cc23)=C[C@H](c2coc3ccccc23)C1CCOCCOCCO.COc1ccc(S(=O)(=O)N(CCO)CCOC2C[C@@H](c3ccsc3)C=C(C(=O)NCc3ccccc3)O2)cc1
InChIInChI=1S/C33H40N2O8.C28H32N2O7S2.C25H37NO6S.C24H33NO7.C24H43NO6/c1-3-41-33-25(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)13-15-36-27-18-23(22-11-16-38-20-22)17-26(37-27)28(32)29-19-21-5-3-2-4-6-21;1-2-31-25-20(5-8-29-10-11-30-9-7-27)21(19-6-12-33-16-19)15-23(32-25)24(28)26-22-14-17-3-4-18(22)13-17;1-5-30-24-17(10-8-12-26)18(19-15-31-20-11-7-6-9-16(19)20)13-21(32-24)23(27)25(2)14-22(28-3)29-4;1-5-30-24-20(11-13-28-15-16-29-14-12-26)21(18(2)3)17-22(31-24)23(27)25(4)19-9-7-6-8-10-19/h4-9,18-21,25,27,33,35-36H,3,10-17H2,1-2H3,(H,34,37);2-11,16-17,20,23,27,31H,12-15,18-19H2,1H3,(H,29,32);6,12,15-18,20-22,25,27H,2-5,7-11,13-14H2,1H3,(H,26,28);6-7,9,11,13,15,17-18,22,24,26H,5,8,10,12,14H2,1-4H3;17-21,24,26H,5-16H2,1-4H3/t25?,27-,33+;23-,27?;17?,18?,20?,21-,22?,25-;17-,18-,24?;20?,21-,24-/m00101/s1
InChIKeyIIDKSTNDMKAULT-FNPOCURWSA-N
XLogP18.22
TPSA493.12 Ų
H-Bond Donors9
H-Bond Acceptors36
Rotatable Bonds66
Heavy Atoms178
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002534.17
LogP ≤ 518.22
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1036

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze (3S,4S)-4-(1-benzofuran-3-yl)-N-(2,2-dimethoxyethyl)-2-ethoxy-3-(3-hydroxypropyl)-N-methyl-3,4-dihydro-2H-pyran-6-carboxamide;(2R,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-2-[2-[2-hydroxyethyl-(4-methoxyphenyl)sulfonylamino]ethoxy]-4-thiophen-3-yl-3,4-dihydro-2H-pyran-6-carboxamide;(2R,4S)-N-(2-bicyclo[2.2.1]heptanyl)-2-ethoxy-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-4-thiophen-3-yl-3,4-dihydro-2H-pyran-6-carboxamide;(2R,4S)-N-cyclohexyl-2-ethoxy-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-N-methyl-4-propan-2-yl-3,4-dihydro-2H-pyran-6-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3S,4S)-4-(1-benzofuran-3-yl)-N-(2,2-dimethoxyethyl)-2-ethoxy-3-(3-hydroxypropyl)-N-methyl-3,4-dihydro-2H-pyran-6-carboxamide;(2R,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-2-[2-[2-hydroxyethyl-(4-methoxyphenyl)sulfonylamino]ethoxy]-4-thiophen-3-yl-3,4-dihydro-2H-pyran-6-carboxamide;(2R,4S)-N-(2-bicyclo[2.2.1]heptanyl)-2-ethoxy-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-4-thiophen-3-yl-3,4-dihydro-2H-pyran-6-carboxamide;(2R,4S)-N-cyclohexyl-2-ethoxy-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-N-methyl-4-propan-2-yl-3,4-dihydro-2H-pyran-6-carboxamide?
The IUPAC name of (3S,4S)-4-(1-benzofuran-3-yl)-N-(2,2-dimethoxyethyl)-2-ethoxy-3-(3-hydroxypropyl)-N-methyl-3,4-dihydro-2H-pyran-6-carboxamide;(2R,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-2-[2-[2-hydroxyethyl-(4-methoxyphenyl)sulfonylamino]ethoxy]-4-thiophen-3-yl-3,4-dihydro-2H-pyran-6-carboxamide;(2R,4S)-N-(2-bicyclo[2.2.1]heptanyl)-2-ethoxy-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-4-thiophen-3-yl-3,4-dihydro-2H-pyran-6-carboxamide;(2R,4S)-N-cyclohexyl-2-ethoxy-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-N-methyl-4-propan-2-yl-3,4-dihydro-2H-pyran-6-carboxamide (CID 158706206) is (3S,4S)-4-(1-benzofuran-3-yl)-N-(2,2-dimethoxyethyl)-2-ethoxy-3-(3-hydroxypropyl)-N-methyl-3,4-dihydro-2H-pyran-6-carboxamide;(2R,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-2-[2-[2-hydroxyethyl-(4-methoxyphenyl)sulfonylamino]ethoxy]-4-thiophen-3-yl-3,4-dihydro-2H-pyran-6-carboxamide;(2R,4S)-N-(2-bicyclo[2.2.1]heptanyl)-2-ethoxy-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-4-thiophen-3-yl-3,4-dihydro-2H-pyran-6-carboxamide;(2R,4S)-N-cyclohexyl-2-ethoxy-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-N-methyl-4-propan-2-yl-3,4-dihydro-2H-pyran-6-carboxamide.
What is the SMILES notation for (3S,4S)-4-(1-benzofuran-3-yl)-N-(2,2-dimethoxyethyl)-2-ethoxy-3-(3-hydroxypropyl)-N-methyl-3,4-dihydro-2H-pyran-6-carboxamide;(2R,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-2-[2-[2-hydroxyethyl-(4-methoxyphenyl)sulfonylamino]ethoxy]-4-thiophen-3-yl-3,4-dihydro-2H-pyran-6-carboxamide;(2R,4S)-N-(2-bicyclo[2.2.1]heptanyl)-2-ethoxy-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-4-thiophen-3-yl-3,4-dihydro-2H-pyran-6-carboxamide;(2R,4S)-N-cyclohexyl-2-ethoxy-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-N-methyl-4-propan-2-yl-3,4-dihydro-2H-pyran-6-carboxamide?
The canonical SMILES for (3S,4S)-4-(1-benzofuran-3-yl)-N-(2,2-dimethoxyethyl)-2-ethoxy-3-(3-hydroxypropyl)-N-methyl-3,4-dihydro-2H-pyran-6-carboxamide;(2R,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-2-[2-[2-hydroxyethyl-(4-methoxyphenyl)sulfonylamino]ethoxy]-4-thiophen-3-yl-3,4-dihydro-2H-pyran-6-carboxamide;(2R,4S)-N-(2-bicyclo[2.2.1]heptanyl)-2-ethoxy-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-4-thiophen-3-yl-3,4-dihydro-2H-pyran-6-carboxamide;(2R,4S)-N-cyclohexyl-2-ethoxy-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-N-methyl-4-propan-2-yl-3,4-dihydro-2H-pyran-6-carboxamide is CCOC1OC(C(=O)N(C)CC(OC)OC)=C[C@H](c2coc3ccccc23)[C@@H]1CCCO.CCO[C@@H]1OC(C(=O)N(C)C2CCCCC2)=C[C@H](C(C)C)C1CCOCCOCCO.CCO[C@@H]1OC(C(=O)NC2CC3CCC2C3)=C[C@H](c2ccsc2)C1CCOCCOCCO.CCO[C@@H]1OC(C(=O)NCCc2c[nH]c3ccc(OC)cc23)=C[C@H](c2coc3ccccc23)C1CCOCCOCCO.COc1ccc(S(=O)(=O)N(CCO)CCOC2C[C@@H](c3ccsc3)C=C(C(=O)NCc3ccccc3)O2)cc1.
What is the InChIKey of (3S,4S)-4-(1-benzofuran-3-yl)-N-(2,2-dimethoxyethyl)-2-ethoxy-3-(3-hydroxypropyl)-N-methyl-3,4-dihydro-2H-pyran-6-carboxamide;(2R,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-2-[2-[2-hydroxyethyl-(4-methoxyphenyl)sulfonylamino]ethoxy]-4-thiophen-3-yl-3,4-dihydro-2H-pyran-6-carboxamide;(2R,4S)-N-(2-bicyclo[2.2.1]heptanyl)-2-ethoxy-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-4-thiophen-3-yl-3,4-dihydro-2H-pyran-6-carboxamide;(2R,4S)-N-cyclohexyl-2-ethoxy-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-N-methyl-4-propan-2-yl-3,4-dihydro-2H-pyran-6-carboxamide?
The InChIKey is IIDKSTNDMKAULT-FNPOCURWSA-N. The full InChI is InChI=1S/C33H40N2O8.C28H32N2O7S2.C25H37NO6S.C24H33NO7.C24H43NO6/c1-3-41-33-25(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)13-15-36-27-18-23(22-11-16-38-20-22)17-26(37-27)28(32)29-19-21-5-3-2-4-6-21;1-2-31-25-20(5-8-29-10-11-30-9-7-27)21(19-6-12-33-16-19)15-23(32-25)24(28)26-22-14-17-3-4-18(22)13-17;1-5-30-24-17(10-8-12-26)18(19-15-31-20-11-7-6-9-16(19)20)13-21(32-24)23(27)25(2)14-22(28-3)29-4;1-5-30-24-20(11-13-28-15-16-29-14-12-26)21(18(2)3)17-22(31-24)23(27)25(4)19-9-7-6-8-10-19/h4-9,18-21,25,27,33,35-36H,3,10-17H2,1-2H3,(H,34,37);2-11,16-17,20,23,27,31H,12-15,18-19H2,1H3,(H,29,32);6,12,15-18,20-22,25,27H,2-5,7-11,13-14H2,1H3,(H,26,28);6-7,9,11,13,15,17-18,22,24,26H,5,8,10,12,14H2,1-4H3;17-21,24,26H,5-16H2,1-4H3/t25?,27-,33+;23-,27?;17?,18?,20?,21-,22?,25-;17-,18-,24?;20?,21-,24-/m00101/s1.
What are the key properties of (3S,4S)-4-(1-benzofuran-3-yl)-N-(2,2-dimethoxyethyl)-2-ethoxy-3-(3-hydroxypropyl)-N-methyl-3,4-dihydro-2H-pyran-6-carboxamide;(2R,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-2-[2-[2-hydroxyethyl-(4-methoxyphenyl)sulfonylamino]ethoxy]-4-thiophen-3-yl-3,4-dihydro-2H-pyran-6-carboxamide;(2R,4S)-N-(2-bicyclo[2.2.1]heptanyl)-2-ethoxy-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-4-thiophen-3-yl-3,4-dihydro-2H-pyran-6-carboxamide;(2R,4S)-N-cyclohexyl-2-ethoxy-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-N-methyl-4-propan-2-yl-3,4-dihydro-2H-pyran-6-carboxamide?
(3S,4S)-4-(1-benzofuran-3-yl)-N-(2,2-dimethoxyethyl)-2-ethoxy-3-(3-hydroxypropyl)-N-methyl-3,4-dihydro-2H-pyran-6-carboxamide;(2R,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-2-[2-[2-hydroxyethyl-(4-methoxyphenyl)sulfonylamino]ethoxy]-4-thiophen-3-yl-3,4-dihydro-2H-pyran-6-carboxamide;(2R,4S)-N-(2-bicyclo[2.2.1]heptanyl)-2-ethoxy-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-4-thiophen-3-yl-3,4-dihydro-2H-pyran-6-carboxamide;(2R,4S)-N-cyclohexyl-2-ethoxy-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-N-methyl-4-propan-2-yl-3,4-dihydro-2H-pyran-6-carboxamide has a molecular weight of 2534.17 g/mol, XLogP of 18.22, 66 rotatable bonds, 9 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-4-(1-benzofuran-3-yl)-N-(2,2-dimethoxyethyl)-2-ethoxy-3-(3-hydroxypropyl)-N-methyl-3,4-dihydro-2H-pyran-6-carboxamide;(2R,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-2-[2-[2-hydroxyethyl-(4-methoxyphenyl)sulfonylamino]ethoxy]-4-thiophen-3-yl-3,4-dihydro-2H-pyran-6-carboxamide;(2R,4S)-N-(2-bicyclo[2.2.1]heptanyl)-2-ethoxy-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-4-thiophen-3-yl-3,4-dihydro-2H-pyran-6-carboxamide;(2R,4S)-N-cyclohexyl-2-ethoxy-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-N-methyl-4-propan-2-yl-3,4-dihydro-2H-pyran-6-carboxamide is sourced from PubChem (CID 158706206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).