N-methyl-4-[(2-methylphenyl)sulfamoyl]-N-[(3-methylthiophen-2-yl)methyl]benzamide

C21H22N2O3S2 — CID 9020437

IUPACN-methyl-4-[(2-methylphenyl)sulfamoyl]-N-[(3-methylthiophen-2-yl)methyl]benzamide
SMILESCc1ccccc1NS(=O)(=O)c1ccc(C(=O)N(C)Cc2sccc2C)cc1
InChIInChI=1S/C21H22N2O3S2/c1-15-6-4-5-7-19(15)22-28(25,26)18-10-8-17(9-11-18)21(24)23(3)14-20-16(2)12-13-27-20/h4-13,22H,14H2,1-3H3
InChIKeyJAUCUGJWUMIGMD-UHFFFAOYSA-N
MW414.55 g/mol
LogP4.44
Rot. Bonds6

About N-methyl-4-[(2-methylphenyl)sulfamoyl]-N-[(3-methylthiophen-2-yl)methyl]benzamide

N-methyl-4-[(2-methylphenyl)sulfamoyl]-N-[(3-methylthiophen-2-yl)methyl]benzamide (PubChem CID 9020437) has the molecular formula C21H22N2O3S2 and a molecular weight of 414.55 g/mol. Its IUPAC name is N-methyl-4-[(2-methylphenyl)sulfamoyl]-N-[(3-methylthiophen-2-yl)methyl]benzamide.

Molecular Properties

Compound NameN-methyl-4-[(2-methylphenyl)sulfamoyl]-N-[(3-methylthiophen-2-yl)methyl]benzamide
PubChem CID9020437
Molecular FormulaC21H22N2O3S2
Molecular Weight414.55 g/mol
Exact Mass414.11
IUPAC NameN-methyl-4-[(2-methylphenyl)sulfamoyl]-N-[(3-methylthiophen-2-yl)methyl]benzamide
SMILESCc1ccccc1NS(=O)(=O)c1ccc(C(=O)N(C)Cc2sccc2C)cc1
InChIInChI=1S/C21H22N2O3S2/c1-15-6-4-5-7-19(15)22-28(25,26)18-10-8-17(9-11-18)21(24)23(3)14-20-16(2)12-13-27-20/h4-13,22H,14H2,1-3H3
InChIKeyJAUCUGJWUMIGMD-UHFFFAOYSA-N
XLogP4.44
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.55
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-4-[(4-methylphenyl)sulfamoyl]-N-[(3-methylthiophen-2-yl)methyl]benzamide
CID 9020403
N-[(4-chlorophenyl)methyl]-N-methyl-4-[(2-methylphenyl)sulfamoyl]benzamide
CID 27773866
N-[(2,4-dimethylphenyl)methyl]-N-methyl-4-[(2-methylphenyl)sulfamoyl]benzamide
CID 9227970
N-methyl-N-[(3-methylthiophen-2-yl)methyl]-4-(trifluoromethylsulfonyl)benzamide
CID 55567347
N-methyl-4-[(2-methylphenyl)sulfamoyl]-N-(pyridin-3-ylmethyl)benzamide
CID 86976183
N-methyl-4-[(2-methylphenyl)sulfamoyl]-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 9305406
N-methyl-N-[(2-methylphenyl)methyl]-4-(phenylsulfamoyl)benzamide
CID 9368880
N-methyl-3-[(4-methylphenyl)sulfamoyl]-N-[(3-methylthiophen-2-yl)methyl]benzamide
CID 9020414
4-bromo-N-methyl-N-[(3-methylthiophen-2-yl)methyl]benzamide
CID 60651279
N-methyl-4-[(2-methylphenyl)sulfamoyl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide
CID 135971089
4-[(2-methoxyphenyl)sulfamoyl]-N-[(3-methylthiophen-2-yl)methyl]benzamide
CID 30861048
N-methyl-4-[(2-methylphenyl)sulfamoyl]-N-(2-morpholin-4-yl-2-oxoethyl)benzamide
CID 16573863

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[(2-methylphenyl)sulfamoyl]-N-[(3-methylthiophen-2-yl)methyl]benzamide?
The IUPAC name of N-methyl-4-[(2-methylphenyl)sulfamoyl]-N-[(3-methylthiophen-2-yl)methyl]benzamide (CID 9020437) is N-methyl-4-[(2-methylphenyl)sulfamoyl]-N-[(3-methylthiophen-2-yl)methyl]benzamide.
What is the SMILES notation for N-methyl-4-[(2-methylphenyl)sulfamoyl]-N-[(3-methylthiophen-2-yl)methyl]benzamide?
The canonical SMILES for N-methyl-4-[(2-methylphenyl)sulfamoyl]-N-[(3-methylthiophen-2-yl)methyl]benzamide is Cc1ccccc1NS(=O)(=O)c1ccc(C(=O)N(C)Cc2sccc2C)cc1.
What is the InChIKey of N-methyl-4-[(2-methylphenyl)sulfamoyl]-N-[(3-methylthiophen-2-yl)methyl]benzamide?
The InChIKey is JAUCUGJWUMIGMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O3S2/c1-15-6-4-5-7-19(15)22-28(25,26)18-10-8-17(9-11-18)21(24)23(3)14-20-16(2)12-13-27-20/h4-13,22H,14H2,1-3H3.
What are the key properties of N-methyl-4-[(2-methylphenyl)sulfamoyl]-N-[(3-methylthiophen-2-yl)methyl]benzamide?
N-methyl-4-[(2-methylphenyl)sulfamoyl]-N-[(3-methylthiophen-2-yl)methyl]benzamide has a molecular weight of 414.55 g/mol, XLogP of 4.44, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[(2-methylphenyl)sulfamoyl]-N-[(3-methylthiophen-2-yl)methyl]benzamide is sourced from PubChem (CID 9020437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).