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

C32H37N5O4S2 — CID 4124631

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

4-[benzyl(ethyl)sulfamoyl]-N-[3-(3,5-dimethylpyrazole-1-carbonyl)-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]benzamide (PubChem CID 4124631) has the molecular formula C32H37N5O4S2 and a molecular weight of 619.81 g/mol. Its IUPAC name is 4-[benzyl(ethyl)sulfamoyl]-N-[3-(3,5-dimethylpyrazole-1-carbonyl)-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]benzamide.

Molecular Properties

• Compound Name: 4-[benzyl(ethyl)sulfamoyl]-N-[3-(3,5-dimethylpyrazole-1-carbonyl)-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]benzamide
• PubChem CID: 4124631
• Molecular Formula: C32H37N5O4S2
• Molecular Weight: 619.81 g/mol
• Exact Mass: 619.23
• IUPAC Name: 4-[benzyl(ethyl)sulfamoyl]-N-[3-(3,5-dimethylpyrazole-1-carbonyl)-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]benzamide
• SMILES: CCN(Cc1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2sc3c(c2C(=O)n2nc(C)cc2C)CCN(C(C)C)C3)cc1
• InChI: InChI=1S/C32H37N5O4S2/c1-6-36(19-24-10-8-7-9-11-24)43(40,41)26-14-12-25(13-15-26)30(38)33-31-29(32(39)37-23(5)18-22(4)34-37)27-16-17-35(21(2)3)20-28(27)42-31/h7-15,18,21H,6,16-17,19-20H2,1-5H3,(H,33,38)
• InChIKey: GYMZAOYBWSFPLU-UHFFFAOYSA-N
• XLogP: 5.48
• TPSA: 104.61 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	619.81
LogP ≤ 5	5.48
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 4-[benzyl(ethyl)sulfamoyl]-N-[3-(3,5-dimethylpyrazole-1-carbonyl)-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]benzamide (CID 4124631) is 4-[benzyl(ethyl)sulfamoyl]-N-[3-(3,5-dimethylpyrazole-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-[benzyl(ethyl)sulfamoyl]-N-[3-(3,5-dimethylpyrazole-1-carbonyl)-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]benzamide?

The canonical SMILES for 4-[benzyl(ethyl)sulfamoyl]-N-[3-(3,5-dimethylpyrazole-1-carbonyl)-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]benzamide is CCN(Cc1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2sc3c(c2C(=O)n2nc(C)cc2C)CCN(C(C)C)C3)cc1.

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

The InChIKey is GYMZAOYBWSFPLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H37N5O4S2/c1-6-36(19-24-10-8-7-9-11-24)43(40,41)26-14-12-25(13-15-26)30(38)33-31-29(32(39)37-23(5)18-22(4)34-37)27-16-17-35(21(2)3)20-28(27)42-31/h7-15,18,21H,6,16-17,19-20H2,1-5H3,(H,33,38).

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

4-[benzyl(ethyl)sulfamoyl]-N-[3-(3,5-dimethylpyrazole-1-carbonyl)-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]benzamide has a molecular weight of 619.81 g/mol, XLogP of 5.48, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[benzyl(ethyl)sulfamoyl]-N-[3-(3,5-dimethylpyrazole-1-carbonyl)-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]benzamide is sourced from PubChem (CID 4124631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).