(4S)-N-(4-chlorophenyl)-3-methyl-6-oxo-4-thiophen-3-yl-5,7-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide

C19H15ClN2O2S2 — CID 26433594

About (4S)-N-(4-chlorophenyl)-3-methyl-6-oxo-4-thiophen-3-yl-5,7-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide

(4S)-N-(4-chlorophenyl)-3-methyl-6-oxo-4-thiophen-3-yl-5,7-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 26433594) has the molecular formula C19H15ClN2O2S2 and a molecular weight of 402.93 g/mol. Its IUPAC name is (4S)-N-(4-chlorophenyl)-3-methyl-6-oxo-4-thiophen-3-yl-5,7-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: (4S)-N-(4-chlorophenyl)-3-methyl-6-oxo-4-thiophen-3-yl-5,7-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide
• PubChem CID: 26433594
• Molecular Formula: C19H15ClN2O2S2
• Molecular Weight: 402.93 g/mol
• Exact Mass: 402.03
• IUPAC Name: (4S)-N-(4-chlorophenyl)-3-methyl-6-oxo-4-thiophen-3-yl-5,7-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide
• SMILES: Cc1c(C(=O)Nc2ccc(Cl)cc2)sc2c1[C@H](c1ccsc1)CC(=O)N2
• InChI: InChI=1S/C19H15ClN2O2S2/c1-10-16-14(11-6-7-25-9-11)8-15(23)22-19(16)26-17(10)18(24)21-13-4-2-12(20)3-5-13/h2-7,9,14H,8H2,1H3,(H,21,24)(H,22,23)/t14-/m0/s1
• InChIKey: RLNTUDIVVQTGRB-AWEZNQCLSA-N
• XLogP: 5.50
• TPSA: 58.20 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	402.93
LogP ≤ 5	5.50
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (4S)-N-(4-chlorophenyl)-3-methyl-6-oxo-4-thiophen-3-yl-5,7-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide?

The IUPAC name of (4S)-N-(4-chlorophenyl)-3-methyl-6-oxo-4-thiophen-3-yl-5,7-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide (CID 26433594) is (4S)-N-(4-chlorophenyl)-3-methyl-6-oxo-4-thiophen-3-yl-5,7-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide.

What is the SMILES notation for (4S)-N-(4-chlorophenyl)-3-methyl-6-oxo-4-thiophen-3-yl-5,7-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide?

The canonical SMILES for (4S)-N-(4-chlorophenyl)-3-methyl-6-oxo-4-thiophen-3-yl-5,7-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide is Cc1c(C(=O)Nc2ccc(Cl)cc2)sc2c1[C@H](c1ccsc1)CC(=O)N2.

What is the InChIKey of (4S)-N-(4-chlorophenyl)-3-methyl-6-oxo-4-thiophen-3-yl-5,7-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide?

The InChIKey is RLNTUDIVVQTGRB-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H15ClN2O2S2/c1-10-16-14(11-6-7-25-9-11)8-15(23)22-19(16)26-17(10)18(24)21-13-4-2-12(20)3-5-13/h2-7,9,14H,8H2,1H3,(H,21,24)(H,22,23)/t14-/m0/s1.

What are the key properties of (4S)-N-(4-chlorophenyl)-3-methyl-6-oxo-4-thiophen-3-yl-5,7-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide?

(4S)-N-(4-chlorophenyl)-3-methyl-6-oxo-4-thiophen-3-yl-5,7-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 402.93 g/mol, XLogP of 5.50, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (4S)-N-(4-chlorophenyl)-3-methyl-6-oxo-4-thiophen-3-yl-5,7-dihydro-4H-thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 26433594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).