(5Z)-N-acetyl-1-[acetyl(butyl)amino]-5-[[2-[bis(2-ethylhexyl)amino]-4-(2,4,6-trimethylphenyl)-1,3-thiazol-5-yl]methylidene]-N-tert-butyl-4-methyl-2,6-dioxopyridine-3-carboxamide;(5Z)-N-acetyl-1-[acetyl(2,2-dimethylpropanoyl)amino]-N-tert-butyl-5-[[2-(dibutylamino)-4-(2-methoxy-6-methylphenyl)-1,3-thiazol-5-yl]methylidene]-4-methyl-2,6-dioxopyridine-3-carboxamide;(5Z)-N-acetyl-1-[acetyl(2,2-dimethylpropanoyl)amino]-4-butyl-5-[[2-(diethylamino)-4-(2,6-dimethyl-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]methylidene]-2,6-dioxo-N-propan-2-ylpyridine-3-carboxamide;(5Z)-N-acetyl-1-[benzoyl(prop-1-en-2-yl)amino]-5-[[2-[bis(2,3-dimethylbutyl)amino]-4-(2,3,6-trimethylphenyl)-1,3-thiazol-5-yl]methylidene]-N-cyclohexyl-4-methyl-2,6-dioxopyridine-3-carboxamide

C179H250N20O24S4 — CID 157455928

IUPAC(5Z)-N-acetyl-1-[acetyl(butyl)amino]-5-[[2-[bis(2-ethylhexyl)amino]-4-(2,4,6-trimethylphenyl)-1,3-thiazol-5-yl]methylidene]-N-tert-butyl-4-methyl-2,6-dioxopyridine-3-carboxamide;(5Z)-N-acetyl-1-[acetyl(2,2-dimethylpropanoyl)amino]-N-tert-butyl-5-[[2-(dibutylamino)-4-(2-methoxy-6-methylphenyl)-1,3-thiazol-5-yl]methylidene]-4-methyl-2,6-dioxopyridine-3-carboxamide;(5Z)-N-acetyl-1-[acetyl(2,2-dimethylpropanoyl)amino]-4-butyl-5-[[2-(diethylamino)-4-(2,6-dimethyl-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]methylidene]-2,6-dioxo-N-propan-2-ylpyridine-3-carboxamide;(5Z)-N-acetyl-1-[benzoyl(prop-1-en-2-yl)amino]-5-[[2-[bis(2,3-dimethylbutyl)amino]-4-(2,3,6-trimethylphenyl)-1,3-thiazol-5-yl]methylidene]-N-cyclohexyl-4-methyl-2,6-dioxopyridine-3-carboxamide
SMILESC=C(C)N(C(=O)c1ccccc1)N1C(=O)C(C(=O)N(C(C)=O)C2CCCCC2)=C(C)/C(=C/c2sc(N(CC(C)C(C)C)CC(C)C(C)C)nc2-c2c(C)ccc(C)c2C)C1=O.CCCCC(CC)CN(CC(CC)CCCC)c1nc(-c2c(C)cc(C)cc2C)c(/C=C2\C(=O)N(N(CCCC)C(C)=O)C(=O)C(C(=O)N(C(C)=O)C(C)(C)C)=C2C)s1.CCCCC1=C(C(=O)N(C(C)=O)C(C)C)C(=O)N(N(C(C)=O)C(=O)C(C)(C)C)C(=O)/C1=C\c1sc(N(CC)CC)nc1-c1c(C)cc(OC(C)C)cc1C.CCCCN(CCCC)c1nc(-c2c(C)cccc2OC)c(/C=C2\C(=O)N(N(C(C)=O)C(=O)C(C)(C)C)C(=O)C(C(=O)N(C(C)=O)C(C)(C)C)=C2C)s1
InChIInChI=1S/C50H65N5O5S.C48H73N5O5S.C41H57N5O7S.C40H55N5O7S/c1-29(2)34(9)27-52(28-35(10)30(3)4)50-51-45(43-33(8)25-24-32(7)36(43)11)42(61-50)26-41-37(12)44(48(59)53(38(13)56)40-22-18-15-19-23-40)49(60)55(47(41)58)54(31(5)6)46(57)39-20-16-14-17-21-39;1-15-20-23-37(18-4)29-50(30-38(19-5)24-21-16-2)47-49-43(41-32(7)26-31(6)27-33(41)8)40(59-47)28-39-34(9)42(45(57)52(36(11)55)48(12,13)14)46(58)53(44(39)56)51(35(10)54)25-22-17-3;1-15-18-19-30-31(22-32-35(42-40(54-32)43(16-2)17-3)33-25(8)20-29(21-26(33)9)53-24(6)7)36(49)46(45(28(11)48)39(52)41(12,13)14)38(51)34(30)37(50)44(23(4)5)27(10)47;1-14-16-21-42(22-17-15-2)38-41-33(31-24(3)19-18-20-29(31)52-13)30(53-38)23-28-25(4)32(35(49)43(26(5)46)40(10,11)12)36(50)45(34(28)48)44(27(6)47)37(51)39(7,8)9/h14,16-17,20-21,24-26,29-30,34-35,40H,5,15,18-19,22-23,27-28H2,1-4,6-13H3;26-28,37-38H,15-25,29-30H2,1-14H3;20-24H,15-19H2,1-14H3;18-20,23H,14-17,21-22H2,1-13H3/b41-26-;39-28-;31-22-;28-23-
InChIKeyBTIWSMUROFTLQW-SNMXWHJNSA-N
MW3194.35 g/mol
LogP35.81
Rot. Bonds59

About (5Z)-N-acetyl-1-[acetyl(butyl)amino]-5-[[2-[bis(2-ethylhexyl)amino]-4-(2,4,6-trimethylphenyl)-1,3-thiazol-5-yl]methylidene]-N-tert-butyl-4-methyl-2,6-dioxopyridine-3-carboxamide;(5Z)-N-acetyl-1-[acetyl(2,2-dimethylpropanoyl)amino]-N-tert-butyl-5-[[2-(dibutylamino)-4-(2-methoxy-6-methylphenyl)-1,3-thiazol-5-yl]methylidene]-4-methyl-2,6-dioxopyridine-3-carboxamide;(5Z)-N-acetyl-1-[acetyl(2,2-dimethylpropanoyl)amino]-4-butyl-5-[[2-(diethylamino)-4-(2,6-dimethyl-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]methylidene]-2,6-dioxo-N-propan-2-ylpyridine-3-carboxamide;(5Z)-N-acetyl-1-[benzoyl(prop-1-en-2-yl)amino]-5-[[2-[bis(2,3-dimethylbutyl)amino]-4-(2,3,6-trimethylphenyl)-1,3-thiazol-5-yl]methylidene]-N-cyclohexyl-4-methyl-2,6-dioxopyridine-3-carboxamide

(5Z)-N-acetyl-1-[acetyl(butyl)amino]-5-[[2-[bis(2-ethylhexyl)amino]-4-(2,4,6-trimethylphenyl)-1,3-thiazol-5-yl]methylidene]-N-tert-butyl-4-methyl-2,6-dioxopyridine-3-carboxamide;(5Z)-N-acetyl-1-[acetyl(2,2-dimethylpropanoyl)amino]-N-tert-butyl-5-[[2-(dibutylamino)-4-(2-methoxy-6-methylphenyl)-1,3-thiazol-5-yl]methylidene]-4-methyl-2,6-dioxopyridine-3-carboxamide;(5Z)-N-acetyl-1-[acetyl(2,2-dimethylpropanoyl)amino]-4-butyl-5-[[2-(diethylamino)-4-(2,6-dimethyl-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]methylidene]-2,6-dioxo-N-propan-2-ylpyridine-3-carboxamide;(5Z)-N-acetyl-1-[benzoyl(prop-1-en-2-yl)amino]-5-[[2-[bis(2,3-dimethylbutyl)amino]-4-(2,3,6-trimethylphenyl)-1,3-thiazol-5-yl]methylidene]-N-cyclohexyl-4-methyl-2,6-dioxopyridine-3-carboxamide (PubChem CID 157455928) has the molecular formula C179H250N20O24S4 and a molecular weight of 3194.35 g/mol. Its IUPAC name is (5Z)-N-acetyl-1-[acetyl(butyl)amino]-5-[[2-[bis(2-ethylhexyl)amino]-4-(2,4,6-trimethylphenyl)-1,3-thiazol-5-yl]methylidene]-N-tert-butyl-4-methyl-2,6-dioxopyridine-3-carboxamide;(5Z)-N-acetyl-1-[acetyl(2,2-dimethylpropanoyl)amino]-N-tert-butyl-5-[[2-(dibutylamino)-4-(2-methoxy-6-methylphenyl)-1,3-thiazol-5-yl]methylidene]-4-methyl-2,6-dioxopyridine-3-carboxamide;(5Z)-N-acetyl-1-[acetyl(2,2-dimethylpropanoyl)amino]-4-butyl-5-[[2-(diethylamino)-4-(2,6-dimethyl-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]methylidene]-2,6-dioxo-N-propan-2-ylpyridine-3-carboxamide;(5Z)-N-acetyl-1-[benzoyl(prop-1-en-2-yl)amino]-5-[[2-[bis(2,3-dimethylbutyl)amino]-4-(2,3,6-trimethylphenyl)-1,3-thiazol-5-yl]methylidene]-N-cyclohexyl-4-methyl-2,6-dioxopyridine-3-carboxamide.

Molecular Properties

Compound Name(5Z)-N-acetyl-1-[acetyl(butyl)amino]-5-[[2-[bis(2-ethylhexyl)amino]-4-(2,4,6-trimethylphenyl)-1,3-thiazol-5-yl]methylidene]-N-tert-butyl-4-methyl-2,6-dioxopyridine-3-carboxamide;(5Z)-N-acetyl-1-[acetyl(2,2-dimethylpropanoyl)amino]-N-tert-butyl-5-[[2-(dibutylamino)-4-(2-methoxy-6-methylphenyl)-1,3-thiazol-5-yl]methylidene]-4-methyl-2,6-dioxopyridine-3-carboxamide;(5Z)-N-acetyl-1-[acetyl(2,2-dimethylpropanoyl)amino]-4-butyl-5-[[2-(diethylamino)-4-(2,6-dimethyl-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]methylidene]-2,6-dioxo-N-propan-2-ylpyridine-3-carboxamide;(5Z)-N-acetyl-1-[benzoyl(prop-1-en-2-yl)amino]-5-[[2-[bis(2,3-dimethylbutyl)amino]-4-(2,3,6-trimethylphenyl)-1,3-thiazol-5-yl]methylidene]-N-cyclohexyl-4-methyl-2,6-dioxopyridine-3-carboxamide
PubChem CID157455928
Molecular FormulaC179H250N20O24S4
Molecular Weight3194.35 g/mol
Exact Mass3191.78
IUPAC Name(5Z)-N-acetyl-1-[acetyl(butyl)amino]-5-[[2-[bis(2-ethylhexyl)amino]-4-(2,4,6-trimethylphenyl)-1,3-thiazol-5-yl]methylidene]-N-tert-butyl-4-methyl-2,6-dioxopyridine-3-carboxamide;(5Z)-N-acetyl-1-[acetyl(2,2-dimethylpropanoyl)amino]-N-tert-butyl-5-[[2-(dibutylamino)-4-(2-methoxy-6-methylphenyl)-1,3-thiazol-5-yl]methylidene]-4-methyl-2,6-dioxopyridine-3-carboxamide;(5Z)-N-acetyl-1-[acetyl(2,2-dimethylpropanoyl)amino]-4-butyl-5-[[2-(diethylamino)-4-(2,6-dimethyl-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]methylidene]-2,6-dioxo-N-propan-2-ylpyridine-3-carboxamide;(5Z)-N-acetyl-1-[benzoyl(prop-1-en-2-yl)amino]-5-[[2-[bis(2,3-dimethylbutyl)amino]-4-(2,3,6-trimethylphenyl)-1,3-thiazol-5-yl]methylidene]-N-cyclohexyl-4-methyl-2,6-dioxopyridine-3-carboxamide
SMILESC=C(C)N(C(=O)c1ccccc1)N1C(=O)C(C(=O)N(C(C)=O)C2CCCCC2)=C(C)/C(=C/c2sc(N(CC(C)C(C)C)CC(C)C(C)C)nc2-c2c(C)ccc(C)c2C)C1=O.CCCCC(CC)CN(CC(CC)CCCC)c1nc(-c2c(C)cc(C)cc2C)c(/C=C2\C(=O)N(N(CCCC)C(C)=O)C(=O)C(C(=O)N(C(C)=O)C(C)(C)C)=C2C)s1.CCCCC1=C(C(=O)N(C(C)=O)C(C)C)C(=O)N(N(C(C)=O)C(=O)C(C)(C)C)C(=O)/C1=C\c1sc(N(CC)CC)nc1-c1c(C)cc(OC(C)C)cc1C.CCCCN(CCCC)c1nc(-c2c(C)cccc2OC)c(/C=C2\C(=O)N(N(C(C)=O)C(=O)C(C)(C)C)C(=O)C(C(=O)N(C(C)=O)C(C)(C)C)=C2C)s1
InChIInChI=1S/C50H65N5O5S.C48H73N5O5S.C41H57N5O7S.C40H55N5O7S/c1-29(2)34(9)27-52(28-35(10)30(3)4)50-51-45(43-33(8)25-24-32(7)36(43)11)42(61-50)26-41-37(12)44(48(59)53(38(13)56)40-22-18-15-19-23-40)49(60)55(47(41)58)54(31(5)6)46(57)39-20-16-14-17-21-39;1-15-20-23-37(18-4)29-50(30-38(19-5)24-21-16-2)47-49-43(41-32(7)26-31(6)27-33(41)8)40(59-47)28-39-34(9)42(45(57)52(36(11)55)48(12,13)14)46(58)53(44(39)56)51(35(10)54)25-22-17-3;1-15-18-19-30-31(22-32-35(42-40(54-32)43(16-2)17-3)33-25(8)20-29(21-26(33)9)53-24(6)7)36(49)46(45(28(11)48)39(52)41(12,13)14)38(51)34(30)37(50)44(23(4)5)27(10)47;1-14-16-21-42(22-17-15-2)38-41-33(31-24(3)19-18-20-29(31)52-13)30(53-38)23-28-25(4)32(35(49)43(26(5)46)40(10,11)12)36(50)45(34(28)48)44(27(6)47)37(51)39(7,8)9/h14,16-17,20-21,24-26,29-30,34-35,40H,5,15,18-19,22-23,27-28H2,1-4,6-13H3;26-28,37-38H,15-25,29-30H2,1-14H3;20-24H,15-19H2,1-14H3;18-20,23H,14-17,21-22H2,1-13H3/b41-26-;39-28-;31-22-;28-23-
InChIKeyBTIWSMUROFTLQW-SNMXWHJNSA-N
XLogP35.81
TPSA497.40 Ų
H-Bond Donors
H-Bond Acceptors36
Rotatable Bonds59
Heavy Atoms227
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003194.35
LogP ≤ 535.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1036

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze (5Z)-N-acetyl-1-[acetyl(butyl)amino]-5-[[2-[bis(2-ethylhexyl)amino]-4-(2,4,6-trimethylphenyl)-1,3-thiazol-5-yl]methylidene]-N-tert-butyl-4-methyl-2,6-dioxopyridine-3-carboxamide;(5Z)-N-acetyl-1-[acetyl(2,2-dimethylpropanoyl)amino]-N-tert-butyl-5-[[2-(dibutylamino)-4-(2-methoxy-6-methylphenyl)-1,3-thiazol-5-yl]methylidene]-4-methyl-2,6-dioxopyridine-3-carboxamide;(5Z)-N-acetyl-1-[acetyl(2,2-dimethylpropanoyl)amino]-4-butyl-5-[[2-(diethylamino)-4-(2,6-dimethyl-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]methylidene]-2,6-dioxo-N-propan-2-ylpyridine-3-carboxamide;(5Z)-N-acetyl-1-[benzoyl(prop-1-en-2-yl)amino]-5-[[2-[bis(2,3-dimethylbutyl)amino]-4-(2,3,6-trimethylphenyl)-1,3-thiazol-5-yl]methylidene]-N-cyclohexyl-4-methyl-2,6-dioxopyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (5Z)-N-acetyl-1-[acetyl(butyl)amino]-5-[[2-[bis(2-ethylhexyl)amino]-4-(2,4,6-trimethylphenyl)-1,3-thiazol-5-yl]methylidene]-N-tert-butyl-4-methyl-2,6-dioxopyridine-3-carboxamide;(5Z)-N-acetyl-1-[acetyl(2,2-dimethylpropanoyl)amino]-N-tert-butyl-5-[[2-(dibutylamino)-4-(2-methoxy-6-methylphenyl)-1,3-thiazol-5-yl]methylidene]-4-methyl-2,6-dioxopyridine-3-carboxamide;(5Z)-N-acetyl-1-[acetyl(2,2-dimethylpropanoyl)amino]-4-butyl-5-[[2-(diethylamino)-4-(2,6-dimethyl-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]methylidene]-2,6-dioxo-N-propan-2-ylpyridine-3-carboxamide;(5Z)-N-acetyl-1-[benzoyl(prop-1-en-2-yl)amino]-5-[[2-[bis(2,3-dimethylbutyl)amino]-4-(2,3,6-trimethylphenyl)-1,3-thiazol-5-yl]methylidene]-N-cyclohexyl-4-methyl-2,6-dioxopyridine-3-carboxamide?
The IUPAC name of (5Z)-N-acetyl-1-[acetyl(butyl)amino]-5-[[2-[bis(2-ethylhexyl)amino]-4-(2,4,6-trimethylphenyl)-1,3-thiazol-5-yl]methylidene]-N-tert-butyl-4-methyl-2,6-dioxopyridine-3-carboxamide;(5Z)-N-acetyl-1-[acetyl(2,2-dimethylpropanoyl)amino]-N-tert-butyl-5-[[2-(dibutylamino)-4-(2-methoxy-6-methylphenyl)-1,3-thiazol-5-yl]methylidene]-4-methyl-2,6-dioxopyridine-3-carboxamide;(5Z)-N-acetyl-1-[acetyl(2,2-dimethylpropanoyl)amino]-4-butyl-5-[[2-(diethylamino)-4-(2,6-dimethyl-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]methylidene]-2,6-dioxo-N-propan-2-ylpyridine-3-carboxamide;(5Z)-N-acetyl-1-[benzoyl(prop-1-en-2-yl)amino]-5-[[2-[bis(2,3-dimethylbutyl)amino]-4-(2,3,6-trimethylphenyl)-1,3-thiazol-5-yl]methylidene]-N-cyclohexyl-4-methyl-2,6-dioxopyridine-3-carboxamide (CID 157455928) is (5Z)-N-acetyl-1-[acetyl(butyl)amino]-5-[[2-[bis(2-ethylhexyl)amino]-4-(2,4,6-trimethylphenyl)-1,3-thiazol-5-yl]methylidene]-N-tert-butyl-4-methyl-2,6-dioxopyridine-3-carboxamide;(5Z)-N-acetyl-1-[acetyl(2,2-dimethylpropanoyl)amino]-N-tert-butyl-5-[[2-(dibutylamino)-4-(2-methoxy-6-methylphenyl)-1,3-thiazol-5-yl]methylidene]-4-methyl-2,6-dioxopyridine-3-carboxamide;(5Z)-N-acetyl-1-[acetyl(2,2-dimethylpropanoyl)amino]-4-butyl-5-[[2-(diethylamino)-4-(2,6-dimethyl-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]methylidene]-2,6-dioxo-N-propan-2-ylpyridine-3-carboxamide;(5Z)-N-acetyl-1-[benzoyl(prop-1-en-2-yl)amino]-5-[[2-[bis(2,3-dimethylbutyl)amino]-4-(2,3,6-trimethylphenyl)-1,3-thiazol-5-yl]methylidene]-N-cyclohexyl-4-methyl-2,6-dioxopyridine-3-carboxamide.
What is the SMILES notation for (5Z)-N-acetyl-1-[acetyl(butyl)amino]-5-[[2-[bis(2-ethylhexyl)amino]-4-(2,4,6-trimethylphenyl)-1,3-thiazol-5-yl]methylidene]-N-tert-butyl-4-methyl-2,6-dioxopyridine-3-carboxamide;(5Z)-N-acetyl-1-[acetyl(2,2-dimethylpropanoyl)amino]-N-tert-butyl-5-[[2-(dibutylamino)-4-(2-methoxy-6-methylphenyl)-1,3-thiazol-5-yl]methylidene]-4-methyl-2,6-dioxopyridine-3-carboxamide;(5Z)-N-acetyl-1-[acetyl(2,2-dimethylpropanoyl)amino]-4-butyl-5-[[2-(diethylamino)-4-(2,6-dimethyl-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]methylidene]-2,6-dioxo-N-propan-2-ylpyridine-3-carboxamide;(5Z)-N-acetyl-1-[benzoyl(prop-1-en-2-yl)amino]-5-[[2-[bis(2,3-dimethylbutyl)amino]-4-(2,3,6-trimethylphenyl)-1,3-thiazol-5-yl]methylidene]-N-cyclohexyl-4-methyl-2,6-dioxopyridine-3-carboxamide?
The canonical SMILES for (5Z)-N-acetyl-1-[acetyl(butyl)amino]-5-[[2-[bis(2-ethylhexyl)amino]-4-(2,4,6-trimethylphenyl)-1,3-thiazol-5-yl]methylidene]-N-tert-butyl-4-methyl-2,6-dioxopyridine-3-carboxamide;(5Z)-N-acetyl-1-[acetyl(2,2-dimethylpropanoyl)amino]-N-tert-butyl-5-[[2-(dibutylamino)-4-(2-methoxy-6-methylphenyl)-1,3-thiazol-5-yl]methylidene]-4-methyl-2,6-dioxopyridine-3-carboxamide;(5Z)-N-acetyl-1-[acetyl(2,2-dimethylpropanoyl)amino]-4-butyl-5-[[2-(diethylamino)-4-(2,6-dimethyl-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]methylidene]-2,6-dioxo-N-propan-2-ylpyridine-3-carboxamide;(5Z)-N-acetyl-1-[benzoyl(prop-1-en-2-yl)amino]-5-[[2-[bis(2,3-dimethylbutyl)amino]-4-(2,3,6-trimethylphenyl)-1,3-thiazol-5-yl]methylidene]-N-cyclohexyl-4-methyl-2,6-dioxopyridine-3-carboxamide is C=C(C)N(C(=O)c1ccccc1)N1C(=O)C(C(=O)N(C(C)=O)C2CCCCC2)=C(C)/C(=C/c2sc(N(CC(C)C(C)C)CC(C)C(C)C)nc2-c2c(C)ccc(C)c2C)C1=O.CCCCC(CC)CN(CC(CC)CCCC)c1nc(-c2c(C)cc(C)cc2C)c(/C=C2\C(=O)N(N(CCCC)C(C)=O)C(=O)C(C(=O)N(C(C)=O)C(C)(C)C)=C2C)s1.CCCCC1=C(C(=O)N(C(C)=O)C(C)C)C(=O)N(N(C(C)=O)C(=O)C(C)(C)C)C(=O)/C1=C\c1sc(N(CC)CC)nc1-c1c(C)cc(OC(C)C)cc1C.CCCCN(CCCC)c1nc(-c2c(C)cccc2OC)c(/C=C2\C(=O)N(N(C(C)=O)C(=O)C(C)(C)C)C(=O)C(C(=O)N(C(C)=O)C(C)(C)C)=C2C)s1.
What is the InChIKey of (5Z)-N-acetyl-1-[acetyl(butyl)amino]-5-[[2-[bis(2-ethylhexyl)amino]-4-(2,4,6-trimethylphenyl)-1,3-thiazol-5-yl]methylidene]-N-tert-butyl-4-methyl-2,6-dioxopyridine-3-carboxamide;(5Z)-N-acetyl-1-[acetyl(2,2-dimethylpropanoyl)amino]-N-tert-butyl-5-[[2-(dibutylamino)-4-(2-methoxy-6-methylphenyl)-1,3-thiazol-5-yl]methylidene]-4-methyl-2,6-dioxopyridine-3-carboxamide;(5Z)-N-acetyl-1-[acetyl(2,2-dimethylpropanoyl)amino]-4-butyl-5-[[2-(diethylamino)-4-(2,6-dimethyl-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]methylidene]-2,6-dioxo-N-propan-2-ylpyridine-3-carboxamide;(5Z)-N-acetyl-1-[benzoyl(prop-1-en-2-yl)amino]-5-[[2-[bis(2,3-dimethylbutyl)amino]-4-(2,3,6-trimethylphenyl)-1,3-thiazol-5-yl]methylidene]-N-cyclohexyl-4-methyl-2,6-dioxopyridine-3-carboxamide?
The InChIKey is BTIWSMUROFTLQW-SNMXWHJNSA-N. The full InChI is InChI=1S/C50H65N5O5S.C48H73N5O5S.C41H57N5O7S.C40H55N5O7S/c1-29(2)34(9)27-52(28-35(10)30(3)4)50-51-45(43-33(8)25-24-32(7)36(43)11)42(61-50)26-41-37(12)44(48(59)53(38(13)56)40-22-18-15-19-23-40)49(60)55(47(41)58)54(31(5)6)46(57)39-20-16-14-17-21-39;1-15-20-23-37(18-4)29-50(30-38(19-5)24-21-16-2)47-49-43(41-32(7)26-31(6)27-33(41)8)40(59-47)28-39-34(9)42(45(57)52(36(11)55)48(12,13)14)46(58)53(44(39)56)51(35(10)54)25-22-17-3;1-15-18-19-30-31(22-32-35(42-40(54-32)43(16-2)17-3)33-25(8)20-29(21-26(33)9)53-24(6)7)36(49)46(45(28(11)48)39(52)41(12,13)14)38(51)34(30)37(50)44(23(4)5)27(10)47;1-14-16-21-42(22-17-15-2)38-41-33(31-24(3)19-18-20-29(31)52-13)30(53-38)23-28-25(4)32(35(49)43(26(5)46)40(10,11)12)36(50)45(34(28)48)44(27(6)47)37(51)39(7,8)9/h14,16-17,20-21,24-26,29-30,34-35,40H,5,15,18-19,22-23,27-28H2,1-4,6-13H3;26-28,37-38H,15-25,29-30H2,1-14H3;20-24H,15-19H2,1-14H3;18-20,23H,14-17,21-22H2,1-13H3/b41-26-;39-28-;31-22-;28-23-.
What are the key properties of (5Z)-N-acetyl-1-[acetyl(butyl)amino]-5-[[2-[bis(2-ethylhexyl)amino]-4-(2,4,6-trimethylphenyl)-1,3-thiazol-5-yl]methylidene]-N-tert-butyl-4-methyl-2,6-dioxopyridine-3-carboxamide;(5Z)-N-acetyl-1-[acetyl(2,2-dimethylpropanoyl)amino]-N-tert-butyl-5-[[2-(dibutylamino)-4-(2-methoxy-6-methylphenyl)-1,3-thiazol-5-yl]methylidene]-4-methyl-2,6-dioxopyridine-3-carboxamide;(5Z)-N-acetyl-1-[acetyl(2,2-dimethylpropanoyl)amino]-4-butyl-5-[[2-(diethylamino)-4-(2,6-dimethyl-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]methylidene]-2,6-dioxo-N-propan-2-ylpyridine-3-carboxamide;(5Z)-N-acetyl-1-[benzoyl(prop-1-en-2-yl)amino]-5-[[2-[bis(2,3-dimethylbutyl)amino]-4-(2,3,6-trimethylphenyl)-1,3-thiazol-5-yl]methylidene]-N-cyclohexyl-4-methyl-2,6-dioxopyridine-3-carboxamide?
(5Z)-N-acetyl-1-[acetyl(butyl)amino]-5-[[2-[bis(2-ethylhexyl)amino]-4-(2,4,6-trimethylphenyl)-1,3-thiazol-5-yl]methylidene]-N-tert-butyl-4-methyl-2,6-dioxopyridine-3-carboxamide;(5Z)-N-acetyl-1-[acetyl(2,2-dimethylpropanoyl)amino]-N-tert-butyl-5-[[2-(dibutylamino)-4-(2-methoxy-6-methylphenyl)-1,3-thiazol-5-yl]methylidene]-4-methyl-2,6-dioxopyridine-3-carboxamide;(5Z)-N-acetyl-1-[acetyl(2,2-dimethylpropanoyl)amino]-4-butyl-5-[[2-(diethylamino)-4-(2,6-dimethyl-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]methylidene]-2,6-dioxo-N-propan-2-ylpyridine-3-carboxamide;(5Z)-N-acetyl-1-[benzoyl(prop-1-en-2-yl)amino]-5-[[2-[bis(2,3-dimethylbutyl)amino]-4-(2,3,6-trimethylphenyl)-1,3-thiazol-5-yl]methylidene]-N-cyclohexyl-4-methyl-2,6-dioxopyridine-3-carboxamide has a molecular weight of 3194.35 g/mol, XLogP of 35.81, 59 rotatable bonds, 0 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-N-acetyl-1-[acetyl(butyl)amino]-5-[[2-[bis(2-ethylhexyl)amino]-4-(2,4,6-trimethylphenyl)-1,3-thiazol-5-yl]methylidene]-N-tert-butyl-4-methyl-2,6-dioxopyridine-3-carboxamide;(5Z)-N-acetyl-1-[acetyl(2,2-dimethylpropanoyl)amino]-N-tert-butyl-5-[[2-(dibutylamino)-4-(2-methoxy-6-methylphenyl)-1,3-thiazol-5-yl]methylidene]-4-methyl-2,6-dioxopyridine-3-carboxamide;(5Z)-N-acetyl-1-[acetyl(2,2-dimethylpropanoyl)amino]-4-butyl-5-[[2-(diethylamino)-4-(2,6-dimethyl-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]methylidene]-2,6-dioxo-N-propan-2-ylpyridine-3-carboxamide;(5Z)-N-acetyl-1-[benzoyl(prop-1-en-2-yl)amino]-5-[[2-[bis(2,3-dimethylbutyl)amino]-4-(2,3,6-trimethylphenyl)-1,3-thiazol-5-yl]methylidene]-N-cyclohexyl-4-methyl-2,6-dioxopyridine-3-carboxamide is sourced from PubChem (CID 157455928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).