N-[2-[4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-2-phenyl-N-propan-2-ylethenesulfonamide

C27H30N2O3S2 — CID 4211816

About N-[2-[4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-2-phenyl-N-propan-2-ylethenesulfonamide

N-[2-[4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-2-phenyl-N-propan-2-ylethenesulfonamide (PubChem CID 4211816) has the molecular formula C27H30N2O3S2 and a molecular weight of 494.68 g/mol. Its IUPAC name is N-[2-[4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-2-phenyl-N-propan-2-ylethenesulfonamide.

Molecular Properties

• Compound Name: N-[2-[4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-2-phenyl-N-propan-2-ylethenesulfonamide
• PubChem CID: 4211816
• Molecular Formula: C27H30N2O3S2
• Molecular Weight: 494.68 g/mol
• Exact Mass: 494.17
• IUPAC Name: N-[2-[4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-2-phenyl-N-propan-2-ylethenesulfonamide
• SMILES: Cc1ccccc1C1c2ccsc2CCN1C(=O)CN(C(C)C)S(=O)(=O)C=Cc1ccccc1
• InChI: InChI=1S/C27H30N2O3S2/c1-20(2)29(34(31,32)18-15-22-10-5-4-6-11-22)19-26(30)28-16-13-25-24(14-17-33-25)27(28)23-12-8-7-9-21(23)3/h4-12,14-15,17-18,20,27H,13,16,19H2,1-3H3
• InChIKey: AOSALMNZOCXVMJ-UHFFFAOYSA-N
• XLogP: 5.24
• TPSA: 57.69 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	494.68
LogP ≤ 5	5.24
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of N-[2-[4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-2-phenyl-N-propan-2-ylethenesulfonamide (CID 4211816) is N-[2-[4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-2-phenyl-N-propan-2-ylethenesulfonamide.

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

The canonical SMILES for N-[2-[4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-2-phenyl-N-propan-2-ylethenesulfonamide is Cc1ccccc1C1c2ccsc2CCN1C(=O)CN(C(C)C)S(=O)(=O)C=Cc1ccccc1.

What is the InChIKey of N-[2-[4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-2-phenyl-N-propan-2-ylethenesulfonamide?

The InChIKey is AOSALMNZOCXVMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N2O3S2/c1-20(2)29(34(31,32)18-15-22-10-5-4-6-11-22)19-26(30)28-16-13-25-24(14-17-33-25)27(28)23-12-8-7-9-21(23)3/h4-12,14-15,17-18,20,27H,13,16,19H2,1-3H3.

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

N-[2-[4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-2-phenyl-N-propan-2-ylethenesulfonamide has a molecular weight of 494.68 g/mol, XLogP of 5.24, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[4-(2-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-2-phenyl-N-propan-2-ylethenesulfonamide is sourced from PubChem (CID 4211816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).