2-chloro-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-5-[methyl(phenyl)sulfamoyl]benzamide

C22H24ClN3O3S2 — CID 6363634

IUPAC2-chloro-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-5-[methyl(phenyl)sulfamoyl]benzamide
SMILESCN(C)C(CNC(=O)c1cc(S(=O)(=O)N(C)c2ccccc2)ccc1Cl)c1cccs1
InChIInChI=1S/C22H24ClN3O3S2/c1-25(2)20(21-10-7-13-30-21)15-24-22(27)18-14-17(11-12-19(18)23)31(28,29)26(3)16-8-5-4-6-9-16/h4-14,20H,15H2,1-3H3,(H,24,27)
InChIKeyBTPGLYFQWDORBJ-UHFFFAOYSA-N
MW478.04 g/mol
LogP4.26
Rot. Bonds8

About 2-chloro-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-5-[methyl(phenyl)sulfamoyl]benzamide

2-chloro-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-5-[methyl(phenyl)sulfamoyl]benzamide (PubChem CID 6363634) has the molecular formula C22H24ClN3O3S2 and a molecular weight of 478.04 g/mol. Its IUPAC name is 2-chloro-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-5-[methyl(phenyl)sulfamoyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-5-[methyl(phenyl)sulfamoyl]benzamide
PubChem CID6363634
Molecular FormulaC22H24ClN3O3S2
Molecular Weight478.04 g/mol
Exact Mass477.09
IUPAC Name2-chloro-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-5-[methyl(phenyl)sulfamoyl]benzamide
SMILESCN(C)C(CNC(=O)c1cc(S(=O)(=O)N(C)c2ccccc2)ccc1Cl)c1cccs1
InChIInChI=1S/C22H24ClN3O3S2/c1-25(2)20(21-10-7-13-30-21)15-24-22(27)18-14-17(11-12-19(18)23)31(28,29)26(3)16-8-5-4-6-9-16/h4-14,20H,15H2,1-3H3,(H,24,27)
InChIKeyBTPGLYFQWDORBJ-UHFFFAOYSA-N
XLogP4.26
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.04
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-chloro-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-5-[methyl(phenyl)sulfamoyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-5-[methyl(phenyl)sulfamoyl]benzamide?
The IUPAC name of 2-chloro-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-5-[methyl(phenyl)sulfamoyl]benzamide (CID 6363634) is 2-chloro-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-5-[methyl(phenyl)sulfamoyl]benzamide.
What is the SMILES notation for 2-chloro-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-5-[methyl(phenyl)sulfamoyl]benzamide?
The canonical SMILES for 2-chloro-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-5-[methyl(phenyl)sulfamoyl]benzamide is CN(C)C(CNC(=O)c1cc(S(=O)(=O)N(C)c2ccccc2)ccc1Cl)c1cccs1.
What is the InChIKey of 2-chloro-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-5-[methyl(phenyl)sulfamoyl]benzamide?
The InChIKey is BTPGLYFQWDORBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClN3O3S2/c1-25(2)20(21-10-7-13-30-21)15-24-22(27)18-14-17(11-12-19(18)23)31(28,29)26(3)16-8-5-4-6-9-16/h4-14,20H,15H2,1-3H3,(H,24,27).
What are the key properties of 2-chloro-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-5-[methyl(phenyl)sulfamoyl]benzamide?
2-chloro-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-5-[methyl(phenyl)sulfamoyl]benzamide has a molecular weight of 478.04 g/mol, XLogP of 4.26, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-5-[methyl(phenyl)sulfamoyl]benzamide is sourced from PubChem (CID 6363634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).