N-cyclopropyl-N-[2-[4-(2,4-dichlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-4-methoxybenzenesulfonamide

C25H24Cl2N2O4S2 — CID 3933396

About N-cyclopropyl-N-[2-[4-(2,4-dichlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-4-methoxybenzenesulfonamide

N-cyclopropyl-N-[2-[4-(2,4-dichlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-4-methoxybenzenesulfonamide (PubChem CID 3933396) has the molecular formula C25H24Cl2N2O4S2 and a molecular weight of 551.52 g/mol. Its IUPAC name is N-cyclopropyl-N-[2-[4-(2,4-dichlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-4-methoxybenzenesulfonamide.

Molecular Properties

• Compound Name: N-cyclopropyl-N-[2-[4-(2,4-dichlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-4-methoxybenzenesulfonamide
• PubChem CID: 3933396
• Molecular Formula: C25H24Cl2N2O4S2
• Molecular Weight: 551.52 g/mol
• Exact Mass: 550.06
• IUPAC Name: N-cyclopropyl-N-[2-[4-(2,4-dichlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-4-methoxybenzenesulfonamide
• SMILES: COc1ccc(S(=O)(=O)N(CC(=O)N2CCc3sccc3C2c2ccc(Cl)cc2Cl)C2CC2)cc1
• InChI: InChI=1S/C25H24Cl2N2O4S2/c1-33-18-5-7-19(8-6-18)35(31,32)29(17-3-4-17)15-24(30)28-12-10-23-21(11-13-34-23)25(28)20-9-2-16(26)14-22(20)27/h2,5-9,11,13-14,17,25H,3-4,10,12,15H2,1H3
• InChIKey: OMJAXXFUNKQQCR-UHFFFAOYSA-N
• XLogP: 5.39
• TPSA: 66.92 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	551.52
LogP ≤ 5	5.39
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[2-[4-(2,4-dichlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-4-methoxybenzenesulfonamide?

The IUPAC name of N-cyclopropyl-N-[2-[4-(2,4-dichlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-4-methoxybenzenesulfonamide (CID 3933396) is N-cyclopropyl-N-[2-[4-(2,4-dichlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-4-methoxybenzenesulfonamide.

What is the SMILES notation for N-cyclopropyl-N-[2-[4-(2,4-dichlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-4-methoxybenzenesulfonamide?

The canonical SMILES for N-cyclopropyl-N-[2-[4-(2,4-dichlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)N(CC(=O)N2CCc3sccc3C2c2ccc(Cl)cc2Cl)C2CC2)cc1.

What is the InChIKey of N-cyclopropyl-N-[2-[4-(2,4-dichlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-4-methoxybenzenesulfonamide?

The InChIKey is OMJAXXFUNKQQCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24Cl2N2O4S2/c1-33-18-5-7-19(8-6-18)35(31,32)29(17-3-4-17)15-24(30)28-12-10-23-21(11-13-34-23)25(28)20-9-2-16(26)14-22(20)27/h2,5-9,11,13-14,17,25H,3-4,10,12,15H2,1H3.

What are the key properties of N-cyclopropyl-N-[2-[4-(2,4-dichlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-4-methoxybenzenesulfonamide?

N-cyclopropyl-N-[2-[4-(2,4-dichlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-4-methoxybenzenesulfonamide has a molecular weight of 551.52 g/mol, XLogP of 5.39, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclopropyl-N-[2-[4-(2,4-dichlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-4-methoxybenzenesulfonamide is sourced from PubChem (CID 3933396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).