N-butan-2-yl-4-methyl-N-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]benzenesulfonamide

C26H30N2O3S2 — CID 3924106

About N-butan-2-yl-4-methyl-N-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]benzenesulfonamide

N-butan-2-yl-4-methyl-N-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]benzenesulfonamide (PubChem CID 3924106) has the molecular formula C26H30N2O3S2 and a molecular weight of 482.67 g/mol. Its IUPAC name is N-butan-2-yl-4-methyl-N-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]benzenesulfonamide.

Molecular Properties

• Compound Name: N-butan-2-yl-4-methyl-N-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]benzenesulfonamide
• PubChem CID: 3924106
• Molecular Formula: C26H30N2O3S2
• Molecular Weight: 482.67 g/mol
• Exact Mass: 482.17
• IUPAC Name: N-butan-2-yl-4-methyl-N-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]benzenesulfonamide
• SMILES: CCC(C)N(CC(=O)N1CCc2sccc2C1c1ccccc1)S(=O)(=O)c1ccc(C)cc1
• InChI: InChI=1S/C26H30N2O3S2/c1-4-20(3)28(33(30,31)22-12-10-19(2)11-13-22)18-25(29)27-16-14-24-23(15-17-32-24)26(27)21-8-6-5-7-9-21/h5-13,15,17,20,26H,4,14,16,18H2,1-3H3
• InChIKey: QEGHHAJNJGDUCC-UHFFFAOYSA-N
• XLogP: 5.02
• TPSA: 57.69 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	482.67
LogP ≤ 5	5.02
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-4-methyl-N-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]benzenesulfonamide?

The IUPAC name of N-butan-2-yl-4-methyl-N-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]benzenesulfonamide (CID 3924106) is N-butan-2-yl-4-methyl-N-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]benzenesulfonamide.

What is the SMILES notation for N-butan-2-yl-4-methyl-N-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]benzenesulfonamide?

The canonical SMILES for N-butan-2-yl-4-methyl-N-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]benzenesulfonamide is CCC(C)N(CC(=O)N1CCc2sccc2C1c1ccccc1)S(=O)(=O)c1ccc(C)cc1.

What is the InChIKey of N-butan-2-yl-4-methyl-N-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]benzenesulfonamide?

The InChIKey is QEGHHAJNJGDUCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O3S2/c1-4-20(3)28(33(30,31)22-12-10-19(2)11-13-22)18-25(29)27-16-14-24-23(15-17-32-24)26(27)21-8-6-5-7-9-21/h5-13,15,17,20,26H,4,14,16,18H2,1-3H3.

What are the key properties of N-butan-2-yl-4-methyl-N-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]benzenesulfonamide?

N-butan-2-yl-4-methyl-N-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]benzenesulfonamide has a molecular weight of 482.67 g/mol, XLogP of 5.02, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-butan-2-yl-4-methyl-N-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 3924106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).