N-[4-[(4R)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl]phenyl]benzenesulfonamide

C24H20N2O3S3 — CID 25335520

About N-[4-[(4R)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl]phenyl]benzenesulfonamide

N-[4-[(4R)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl]phenyl]benzenesulfonamide (PubChem CID 25335520) has the molecular formula C24H20N2O3S3 and a molecular weight of 480.64 g/mol. Its IUPAC name is N-[4-[(4R)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl]phenyl]benzenesulfonamide.

Molecular Properties

• Compound Name: N-[4-[(4R)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl]phenyl]benzenesulfonamide
• PubChem CID: 25335520
• Molecular Formula: C24H20N2O3S3
• Molecular Weight: 480.64 g/mol
• Exact Mass: 480.06
• IUPAC Name: N-[4-[(4R)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl]phenyl]benzenesulfonamide
• SMILES: O=C(c1ccc(NS(=O)(=O)c2ccccc2)cc1)N1CCc2sccc2[C@@H]1c1cccs1
• InChI: InChI=1S/C24H20N2O3S3/c27-24(26-14-12-21-20(13-16-31-21)23(26)22-7-4-15-30-22)17-8-10-18(11-9-17)25-32(28,29)19-5-2-1-3-6-19/h1-11,13,15-16,23,25H,12,14H2/t23-/m1/s1
• InChIKey: UGXQZACCMLTOPP-HSZRJFAPSA-N
• XLogP: 5.40
• TPSA: 66.48 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	480.64
LogP ≤ 5	5.40
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4R)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl]phenyl]benzenesulfonamide?

The IUPAC name of N-[4-[(4R)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl]phenyl]benzenesulfonamide (CID 25335520) is N-[4-[(4R)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl]phenyl]benzenesulfonamide.

What is the SMILES notation for N-[4-[(4R)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl]phenyl]benzenesulfonamide?

The canonical SMILES for N-[4-[(4R)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl]phenyl]benzenesulfonamide is O=C(c1ccc(NS(=O)(=O)c2ccccc2)cc1)N1CCc2sccc2[C@@H]1c1cccs1.

What is the InChIKey of N-[4-[(4R)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl]phenyl]benzenesulfonamide?

The InChIKey is UGXQZACCMLTOPP-HSZRJFAPSA-N. The full InChI is InChI=1S/C24H20N2O3S3/c27-24(26-14-12-21-20(13-16-31-21)23(26)22-7-4-15-30-22)17-8-10-18(11-9-17)25-32(28,29)19-5-2-1-3-6-19/h1-11,13,15-16,23,25H,12,14H2/t23-/m1/s1.

What are the key properties of N-[4-[(4R)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl]phenyl]benzenesulfonamide?

N-[4-[(4R)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl]phenyl]benzenesulfonamide has a molecular weight of 480.64 g/mol, XLogP of 5.40, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[(4R)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl]phenyl]benzenesulfonamide is sourced from PubChem (CID 25335520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).