N-cyclohexyl-N-[2-[4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]naphthalene-1-sulfonamide

C32H34N2O3S2 — CID 3991244

About N-cyclohexyl-N-[2-[4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]naphthalene-1-sulfonamide

N-cyclohexyl-N-[2-[4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]naphthalene-1-sulfonamide (PubChem CID 3991244) has the molecular formula C32H34N2O3S2 and a molecular weight of 558.77 g/mol. Its IUPAC name is N-cyclohexyl-N-[2-[4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]naphthalene-1-sulfonamide.

Molecular Properties

• Compound Name: N-cyclohexyl-N-[2-[4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]naphthalene-1-sulfonamide
• PubChem CID: 3991244
• Molecular Formula: C32H34N2O3S2
• Molecular Weight: 558.77 g/mol
• Exact Mass: 558.20
• IUPAC Name: N-cyclohexyl-N-[2-[4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]naphthalene-1-sulfonamide
• SMILES: Cc1ccccc1C1c2ccsc2CCN1C(=O)CN(C1CCCCC1)S(=O)(=O)c1cccc2ccccc12
• InChI: InChI=1S/C32H34N2O3S2/c1-23-10-5-7-15-26(23)32-28-19-21-38-29(28)18-20-33(32)31(35)22-34(25-13-3-2-4-14-25)39(36,37)30-17-9-12-24-11-6-8-16-27(24)30/h5-12,15-17,19,21,25,32H,2-4,13-14,18,20,22H2,1H3
• InChIKey: BQIHITHTIFFEDZ-UHFFFAOYSA-N
• XLogP: 6.71
• TPSA: 57.69 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	558.77
LogP ≤ 5	6.71
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-[2-[4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]naphthalene-1-sulfonamide?

The IUPAC name of N-cyclohexyl-N-[2-[4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]naphthalene-1-sulfonamide (CID 3991244) is N-cyclohexyl-N-[2-[4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]naphthalene-1-sulfonamide.

What is the SMILES notation for N-cyclohexyl-N-[2-[4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]naphthalene-1-sulfonamide?

The canonical SMILES for N-cyclohexyl-N-[2-[4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]naphthalene-1-sulfonamide is Cc1ccccc1C1c2ccsc2CCN1C(=O)CN(C1CCCCC1)S(=O)(=O)c1cccc2ccccc12.

What is the InChIKey of N-cyclohexyl-N-[2-[4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]naphthalene-1-sulfonamide?

The InChIKey is BQIHITHTIFFEDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34N2O3S2/c1-23-10-5-7-15-26(23)32-28-19-21-38-29(28)18-20-33(32)31(35)22-34(25-13-3-2-4-14-25)39(36,37)30-17-9-12-24-11-6-8-16-27(24)30/h5-12,15-17,19,21,25,32H,2-4,13-14,18,20,22H2,1H3.

What are the key properties of N-cyclohexyl-N-[2-[4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]naphthalene-1-sulfonamide?

N-cyclohexyl-N-[2-[4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]naphthalene-1-sulfonamide has a molecular weight of 558.77 g/mol, XLogP of 6.71, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclohexyl-N-[2-[4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]naphthalene-1-sulfonamide is sourced from PubChem (CID 3991244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).