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

C32H34N2O3S2 — CID 4692896

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

N-cyclohexyl-N-[2-[4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]naphthalene-2-sulfonamide (PubChem CID 4692896) 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-2-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-2-sulfonamide
• PubChem CID: 4692896
• 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-2-sulfonamide
• SMILES: Cc1ccccc1C1c2ccsc2CCN1C(=O)CN(C1CCCCC1)S(=O)(=O)c1ccc2ccccc2c1
• InChI: InChI=1S/C32H34N2O3S2/c1-23-9-5-8-14-28(23)32-29-18-20-38-30(29)17-19-33(32)31(35)22-34(26-12-3-2-4-13-26)39(36,37)27-16-15-24-10-6-7-11-25(24)21-27/h5-11,14-16,18,20-21,26,32H,2-4,12-13,17,19,22H2,1H3
• InChIKey: PRGASKMXIZOTEQ-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-2-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-2-sulfonamide (CID 4692896) is N-cyclohexyl-N-[2-[4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]naphthalene-2-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-2-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-2-sulfonamide is Cc1ccccc1C1c2ccsc2CCN1C(=O)CN(C1CCCCC1)S(=O)(=O)c1ccc2ccccc2c1.

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-2-sulfonamide?

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

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-2-sulfonamide?

N-cyclohexyl-N-[2-[4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]naphthalene-2-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-2-sulfonamide is sourced from PubChem (CID 4692896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).