4-[methyl(phenyl)sulfamoyl]-N-[3-(piperidine-1-carbonyl)-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]benzamide

C30H36N4O4S2 — CID 23741642

About 4-[methyl(phenyl)sulfamoyl]-N-[3-(piperidine-1-carbonyl)-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]benzamide

4-[methyl(phenyl)sulfamoyl]-N-[3-(piperidine-1-carbonyl)-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]benzamide (PubChem CID 23741642) has the molecular formula C30H36N4O4S2 and a molecular weight of 580.78 g/mol. Its IUPAC name is 4-[methyl(phenyl)sulfamoyl]-N-[3-(piperidine-1-carbonyl)-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]benzamide.

Molecular Properties

• Compound Name: 4-[methyl(phenyl)sulfamoyl]-N-[3-(piperidine-1-carbonyl)-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]benzamide
• PubChem CID: 23741642
• Molecular Formula: C30H36N4O4S2
• Molecular Weight: 580.78 g/mol
• Exact Mass: 580.22
• IUPAC Name: 4-[methyl(phenyl)sulfamoyl]-N-[3-(piperidine-1-carbonyl)-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]benzamide
• SMILES: CC(C)N1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N(C)c4ccccc4)cc3)c2C(=O)N2CCCCC2)C1
• InChI: InChI=1S/C30H36N4O4S2/c1-21(2)34-19-16-25-26(20-34)39-29(27(25)30(36)33-17-8-5-9-18-33)31-28(35)22-12-14-24(15-13-22)40(37,38)32(3)23-10-6-4-7-11-23/h4,6-7,10-15,21H,5,8-9,16-20H2,1-3H3,(H,31,35)
• InChIKey: SUZCCRFGZPDUQZ-UHFFFAOYSA-N
• XLogP: 5.22
• TPSA: 90.03 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	580.78
LogP ≤ 5	5.22
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-[methyl(phenyl)sulfamoyl]-N-[3-(piperidine-1-carbonyl)-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]benzamide?

The IUPAC name of 4-[methyl(phenyl)sulfamoyl]-N-[3-(piperidine-1-carbonyl)-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]benzamide (CID 23741642) is 4-[methyl(phenyl)sulfamoyl]-N-[3-(piperidine-1-carbonyl)-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]benzamide.

What is the SMILES notation for 4-[methyl(phenyl)sulfamoyl]-N-[3-(piperidine-1-carbonyl)-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]benzamide?

The canonical SMILES for 4-[methyl(phenyl)sulfamoyl]-N-[3-(piperidine-1-carbonyl)-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]benzamide is CC(C)N1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N(C)c4ccccc4)cc3)c2C(=O)N2CCCCC2)C1.

What is the InChIKey of 4-[methyl(phenyl)sulfamoyl]-N-[3-(piperidine-1-carbonyl)-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]benzamide?

The InChIKey is SUZCCRFGZPDUQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H36N4O4S2/c1-21(2)34-19-16-25-26(20-34)39-29(27(25)30(36)33-17-8-5-9-18-33)31-28(35)22-12-14-24(15-13-22)40(37,38)32(3)23-10-6-4-7-11-23/h4,6-7,10-15,21H,5,8-9,16-20H2,1-3H3,(H,31,35).

What are the key properties of 4-[methyl(phenyl)sulfamoyl]-N-[3-(piperidine-1-carbonyl)-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]benzamide?

4-[methyl(phenyl)sulfamoyl]-N-[3-(piperidine-1-carbonyl)-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]benzamide has a molecular weight of 580.78 g/mol, XLogP of 5.22, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[methyl(phenyl)sulfamoyl]-N-[3-(piperidine-1-carbonyl)-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]benzamide is sourced from PubChem (CID 23741642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).