N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-4-[methyl(propan-2-yl)sulfamoyl]benzamide

C18H18ClN3O3S3 — CID 41363664

About N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-4-[methyl(propan-2-yl)sulfamoyl]benzamide

N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-4-[methyl(propan-2-yl)sulfamoyl]benzamide (PubChem CID 41363664) has the molecular formula C18H18ClN3O3S3 and a molecular weight of 456.01 g/mol. Its IUPAC name is N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-4-[methyl(propan-2-yl)sulfamoyl]benzamide.

Molecular Properties

• Compound Name: N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-4-[methyl(propan-2-yl)sulfamoyl]benzamide
• PubChem CID: 41363664
• Molecular Formula: C18H18ClN3O3S3
• Molecular Weight: 456.01 g/mol
• Exact Mass: 455.02
• IUPAC Name: N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-4-[methyl(propan-2-yl)sulfamoyl]benzamide
• SMILES: CC(C)N(C)S(=O)(=O)c1ccc(C(=O)Nc2nc(-c3ccc(Cl)s3)cs2)cc1
• InChI: InChI=1S/C18H18ClN3O3S3/c1-11(2)22(3)28(24,25)13-6-4-12(5-7-13)17(23)21-18-20-14(10-26-18)15-8-9-16(19)27-15/h4-11H,1-3H3,(H,20,21,23)
• InChIKey: QPHLNEKQTSQZKE-UHFFFAOYSA-N
• XLogP: 4.81
• TPSA: 79.37 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	456.01
LogP ≤ 5	4.81
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-4-[methyl(propan-2-yl)sulfamoyl]benzamide?

The IUPAC name of N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-4-[methyl(propan-2-yl)sulfamoyl]benzamide (CID 41363664) is N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-4-[methyl(propan-2-yl)sulfamoyl]benzamide.

What is the SMILES notation for N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-4-[methyl(propan-2-yl)sulfamoyl]benzamide?

The canonical SMILES for N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-4-[methyl(propan-2-yl)sulfamoyl]benzamide is CC(C)N(C)S(=O)(=O)c1ccc(C(=O)Nc2nc(-c3ccc(Cl)s3)cs2)cc1.

What is the InChIKey of N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-4-[methyl(propan-2-yl)sulfamoyl]benzamide?

The InChIKey is QPHLNEKQTSQZKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN3O3S3/c1-11(2)22(3)28(24,25)13-6-4-12(5-7-13)17(23)21-18-20-14(10-26-18)15-8-9-16(19)27-15/h4-11H,1-3H3,(H,20,21,23).

What are the key properties of N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-4-[methyl(propan-2-yl)sulfamoyl]benzamide?

N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-4-[methyl(propan-2-yl)sulfamoyl]benzamide has a molecular weight of 456.01 g/mol, XLogP of 4.81, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-4-[methyl(propan-2-yl)sulfamoyl]benzamide is sourced from PubChem (CID 41363664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).