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

C21H22N2O3S2 — CID 9020414

IUPACN-methyl-3-[(4-methylphenyl)sulfamoyl]-N-[(3-methylthiophen-2-yl)methyl]benzamide
SMILESCc1ccc(NS(=O)(=O)c2cccc(C(=O)N(C)Cc3sccc3C)c2)cc1
InChIInChI=1S/C21H22N2O3S2/c1-15-7-9-18(10-8-15)22-28(25,26)19-6-4-5-17(13-19)21(24)23(3)14-20-16(2)11-12-27-20/h4-13,22H,14H2,1-3H3
InChIKeyBHHJXDXPMYVSQL-UHFFFAOYSA-N
MW414.55 g/mol
LogP4.44
Rot. Bonds6

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

N-methyl-3-[(4-methylphenyl)sulfamoyl]-N-[(3-methylthiophen-2-yl)methyl]benzamide (PubChem CID 9020414) has the molecular formula C21H22N2O3S2 and a molecular weight of 414.55 g/mol. Its IUPAC name is N-methyl-3-[(4-methylphenyl)sulfamoyl]-N-[(3-methylthiophen-2-yl)methyl]benzamide.

Molecular Properties

Compound NameN-methyl-3-[(4-methylphenyl)sulfamoyl]-N-[(3-methylthiophen-2-yl)methyl]benzamide
PubChem CID9020414
Molecular FormulaC21H22N2O3S2
Molecular Weight414.55 g/mol
Exact Mass414.11
IUPAC NameN-methyl-3-[(4-methylphenyl)sulfamoyl]-N-[(3-methylthiophen-2-yl)methyl]benzamide
SMILESCc1ccc(NS(=O)(=O)c2cccc(C(=O)N(C)Cc3sccc3C)c2)cc1
InChIInChI=1S/C21H22N2O3S2/c1-15-7-9-18(10-8-15)22-28(25,26)19-6-4-5-17(13-19)21(24)23(3)14-20-16(2)11-12-27-20/h4-13,22H,14H2,1-3H3
InChIKeyBHHJXDXPMYVSQL-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-methyl-N-[(3-methylthiophen-2-yl)methyl]-3-morpholin-4-ylsulfonylbenzamide
CID 51181492
N-methyl-4-[(2-methylphenyl)sulfamoyl]-N-[(3-methylthiophen-2-yl)methyl]benzamide
CID 9020437
4-chloro-3-[(4-methoxyphenyl)sulfamoyl]-N-methyl-N-[(3-methylthiophen-2-yl)methyl]benzamide
CID 134029086
3-[(3-acetylphenyl)sulfonylamino]-N-methyl-N-[(3-methylthiophen-2-yl)methyl]propanamide
CID 78794216
3-[(4-methylphenyl)sulfamoyl]benzoic acid
CID 834756
3-[(3-chlorophenyl)sulfamoyl]-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]benzamide
CID 27227245
2-methyl-2-[methyl-[3-[(4-methylphenyl)sulfamoyl]benzoyl]amino]propanoic acid
CID 119200789
4-[(4-methylphenyl)sulfamoyl]-N-[(3-methylthiophen-2-yl)methyl]benzamide
CID 30861046
N-[2-(dimethylamino)-2-oxoethyl]-N-methyl-3-[(3-methylphenyl)sulfamoyl]benzamide
CID 9227005
N-[(2-fluorophenyl)methyl]-3-[(4-fluorophenyl)sulfamoyl]-N-methylbenzamide
CID 9409340
3-[(4-bromophenyl)sulfamoyl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide
CID 17479896

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[(4-methylphenyl)sulfamoyl]-N-[(3-methylthiophen-2-yl)methyl]benzamide?
The IUPAC name of N-methyl-3-[(4-methylphenyl)sulfamoyl]-N-[(3-methylthiophen-2-yl)methyl]benzamide (CID 9020414) is N-methyl-3-[(4-methylphenyl)sulfamoyl]-N-[(3-methylthiophen-2-yl)methyl]benzamide.
What is the SMILES notation for N-methyl-3-[(4-methylphenyl)sulfamoyl]-N-[(3-methylthiophen-2-yl)methyl]benzamide?
The canonical SMILES for N-methyl-3-[(4-methylphenyl)sulfamoyl]-N-[(3-methylthiophen-2-yl)methyl]benzamide is Cc1ccc(NS(=O)(=O)c2cccc(C(=O)N(C)Cc3sccc3C)c2)cc1.
What is the InChIKey of N-methyl-3-[(4-methylphenyl)sulfamoyl]-N-[(3-methylthiophen-2-yl)methyl]benzamide?
The InChIKey is BHHJXDXPMYVSQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O3S2/c1-15-7-9-18(10-8-15)22-28(25,26)19-6-4-5-17(13-19)21(24)23(3)14-20-16(2)11-12-27-20/h4-13,22H,14H2,1-3H3.
What are the key properties of N-methyl-3-[(4-methylphenyl)sulfamoyl]-N-[(3-methylthiophen-2-yl)methyl]benzamide?
N-methyl-3-[(4-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-3-[(4-methylphenyl)sulfamoyl]-N-[(3-methylthiophen-2-yl)methyl]benzamide is sourced from PubChem (CID 9020414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).