(3S,7aR)-N-(4-methoxyphenyl)-5-methyl-2-(4-methylphenyl)sulfonyl-6-oxo-3,4,7,7a-tetrahydro-1H-cyclopenta[c]pyridine-3-carboxamide

C24H26N2O5S — CID 25137513

IUPAC(3S,7aR)-N-(4-methoxyphenyl)-5-methyl-2-(4-methylphenyl)sulfonyl-6-oxo-3,4,7,7a-tetrahydro-1H-cyclopenta[c]pyridine-3-carboxamide
SMILESCOc1ccc(NC(=O)[C@@H]2CC3=C(C)C(=O)C[C@H]3CN2S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C24H26N2O5S/c1-15-4-10-20(11-5-15)32(29,30)26-14-17-12-23(27)16(2)21(17)13-22(26)24(28)25-18-6-8-19(31-3)9-7-18/h4-11,17,22H,12-14H2,1-3H3,(H,25,28)/t17-,22-/m0/s1
InChIKeyWIIGGPYQFCQPBX-JTSKRJEESA-N
MW454.55 g/mol
LogP3.31
Rot. Bonds5

About (3S,7aR)-N-(4-methoxyphenyl)-5-methyl-2-(4-methylphenyl)sulfonyl-6-oxo-3,4,7,7a-tetrahydro-1H-cyclopenta[c]pyridine-3-carboxamide

(3S,7aR)-N-(4-methoxyphenyl)-5-methyl-2-(4-methylphenyl)sulfonyl-6-oxo-3,4,7,7a-tetrahydro-1H-cyclopenta[c]pyridine-3-carboxamide (PubChem CID 25137513) has the molecular formula C24H26N2O5S and a molecular weight of 454.55 g/mol. Its IUPAC name is (3S,7aR)-N-(4-methoxyphenyl)-5-methyl-2-(4-methylphenyl)sulfonyl-6-oxo-3,4,7,7a-tetrahydro-1H-cyclopenta[c]pyridine-3-carboxamide.

Molecular Properties

Compound Name(3S,7aR)-N-(4-methoxyphenyl)-5-methyl-2-(4-methylphenyl)sulfonyl-6-oxo-3,4,7,7a-tetrahydro-1H-cyclopenta[c]pyridine-3-carboxamide
PubChem CID25137513
Molecular FormulaC24H26N2O5S
Molecular Weight454.55 g/mol
Exact Mass454.16
IUPAC Name(3S,7aR)-N-(4-methoxyphenyl)-5-methyl-2-(4-methylphenyl)sulfonyl-6-oxo-3,4,7,7a-tetrahydro-1H-cyclopenta[c]pyridine-3-carboxamide
SMILESCOc1ccc(NC(=O)[C@@H]2CC3=C(C)C(=O)C[C@H]3CN2S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C24H26N2O5S/c1-15-4-10-20(11-5-15)32(29,30)26-14-17-12-23(27)16(2)21(17)13-22(26)24(28)25-18-6-8-19(31-3)9-7-18/h4-11,17,22H,12-14H2,1-3H3,(H,25,28)/t17-,22-/m0/s1
InChIKeyWIIGGPYQFCQPBX-JTSKRJEESA-N
XLogP3.31
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.55
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3S,7aR)-N-(4-methoxyphenyl)-5-methyl-2-(4-methylphenyl)sulfonyl-6-oxo-3,4,7,7a-tetrahydro-1H-cyclopenta[c]pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3R)-N-(2,5-dimethoxyphenyl)-2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 95075354
(3S)-1-(4-methoxyphenyl)sulfonyl-N-(4-methylphenyl)piperidine-3-carboxamide
CID 1081613
(3S)-2-(4-methoxyphenyl)sulfonyl-N-(4-propan-2-ylphenyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 95075439
(3R)-2-(4-methylphenyl)sulfonyl-N-(4-phenylmethoxyphenyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 2320240
(2R,4R)-4-hydroxy-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 98397285
1-(4-methoxyphenyl)sulfonyl-4-phenoxy-N-phenylpyrrolidine-2-carboxamide
CID 169284552
(2R)-N-(4-methylphenyl)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 1084740
N-(4-acetamidophenyl)-2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 18884730
1-(4-methoxyphenyl)sulfonyl-N-phenylpyrrolidine-2-carboxamide
CID 16828016
methyl 4-[[(2S)-1-(4-methoxyphenyl)sulfonylpyrrolidine-2-carbonyl]amino]benzoate
CID 1304570
methyl 4-[[(2R)-1-(4-methoxyphenyl)sulfonylpyrrolidine-2-carbonyl]amino]benzoate
CID 1304571
(3S)-N-(3,4-dimethoxyphenyl)-2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 94072267

Frequently Asked Questions

What is the IUPAC name of (3S,7aR)-N-(4-methoxyphenyl)-5-methyl-2-(4-methylphenyl)sulfonyl-6-oxo-3,4,7,7a-tetrahydro-1H-cyclopenta[c]pyridine-3-carboxamide?
The IUPAC name of (3S,7aR)-N-(4-methoxyphenyl)-5-methyl-2-(4-methylphenyl)sulfonyl-6-oxo-3,4,7,7a-tetrahydro-1H-cyclopenta[c]pyridine-3-carboxamide (CID 25137513) is (3S,7aR)-N-(4-methoxyphenyl)-5-methyl-2-(4-methylphenyl)sulfonyl-6-oxo-3,4,7,7a-tetrahydro-1H-cyclopenta[c]pyridine-3-carboxamide.
What is the SMILES notation for (3S,7aR)-N-(4-methoxyphenyl)-5-methyl-2-(4-methylphenyl)sulfonyl-6-oxo-3,4,7,7a-tetrahydro-1H-cyclopenta[c]pyridine-3-carboxamide?
The canonical SMILES for (3S,7aR)-N-(4-methoxyphenyl)-5-methyl-2-(4-methylphenyl)sulfonyl-6-oxo-3,4,7,7a-tetrahydro-1H-cyclopenta[c]pyridine-3-carboxamide is COc1ccc(NC(=O)[C@@H]2CC3=C(C)C(=O)C[C@H]3CN2S(=O)(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of (3S,7aR)-N-(4-methoxyphenyl)-5-methyl-2-(4-methylphenyl)sulfonyl-6-oxo-3,4,7,7a-tetrahydro-1H-cyclopenta[c]pyridine-3-carboxamide?
The InChIKey is WIIGGPYQFCQPBX-JTSKRJEESA-N. The full InChI is InChI=1S/C24H26N2O5S/c1-15-4-10-20(11-5-15)32(29,30)26-14-17-12-23(27)16(2)21(17)13-22(26)24(28)25-18-6-8-19(31-3)9-7-18/h4-11,17,22H,12-14H2,1-3H3,(H,25,28)/t17-,22-/m0/s1.
What are the key properties of (3S,7aR)-N-(4-methoxyphenyl)-5-methyl-2-(4-methylphenyl)sulfonyl-6-oxo-3,4,7,7a-tetrahydro-1H-cyclopenta[c]pyridine-3-carboxamide?
(3S,7aR)-N-(4-methoxyphenyl)-5-methyl-2-(4-methylphenyl)sulfonyl-6-oxo-3,4,7,7a-tetrahydro-1H-cyclopenta[c]pyridine-3-carboxamide has a molecular weight of 454.55 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,7aR)-N-(4-methoxyphenyl)-5-methyl-2-(4-methylphenyl)sulfonyl-6-oxo-3,4,7,7a-tetrahydro-1H-cyclopenta[c]pyridine-3-carboxamide is sourced from PubChem (CID 25137513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).