3-[methyl-(4-methylphenyl)sulfamoyl]-N-(thiophen-2-ylmethyl)benzamide

C20H20N2O3S2 — CID 7751591

IUPAC3-[methyl-(4-methylphenyl)sulfamoyl]-N-(thiophen-2-ylmethyl)benzamide
SMILESCc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)NCc3cccs3)c2)cc1
InChIInChI=1S/C20H20N2O3S2/c1-15-8-10-17(11-9-15)22(2)27(24,25)19-7-3-5-16(13-19)20(23)21-14-18-6-4-12-26-18/h3-13H,14H2,1-2H3,(H,21,23)
InChIKeyMCBDAXKOYJNUTB-UHFFFAOYSA-N
MW400.53 g/mol
LogP3.81
Rot. Bonds6

About 3-[methyl-(4-methylphenyl)sulfamoyl]-N-(thiophen-2-ylmethyl)benzamide

3-[methyl-(4-methylphenyl)sulfamoyl]-N-(thiophen-2-ylmethyl)benzamide (PubChem CID 7751591) has the molecular formula C20H20N2O3S2 and a molecular weight of 400.53 g/mol. Its IUPAC name is 3-[methyl-(4-methylphenyl)sulfamoyl]-N-(thiophen-2-ylmethyl)benzamide.

Molecular Properties

Compound Name3-[methyl-(4-methylphenyl)sulfamoyl]-N-(thiophen-2-ylmethyl)benzamide
PubChem CID7751591
Molecular FormulaC20H20N2O3S2
Molecular Weight400.53 g/mol
Exact Mass400.09
IUPAC Name3-[methyl-(4-methylphenyl)sulfamoyl]-N-(thiophen-2-ylmethyl)benzamide
SMILESCc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)NCc3cccs3)c2)cc1
InChIInChI=1S/C20H20N2O3S2/c1-15-8-10-17(11-9-15)22(2)27(24,25)19-7-3-5-16(13-19)20(23)21-14-18-6-4-12-26-18/h3-13H,14H2,1-2H3,(H,21,23)
InChIKeyMCBDAXKOYJNUTB-UHFFFAOYSA-N
XLogP3.81
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.53
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(dimethylamino)-2-oxoethyl]-3-[methyl-(4-methylphenyl)sulfamoyl]benzamide
CID 9480630
N-(3-methylbutyl)-3-[methyl-(4-methylphenyl)sulfamoyl]benzamide
CID 2677261
3-[methyl-(4-methylphenyl)sulfamoyl]-N-[2-(4-methylphenoxy)ethyl]benzamide
CID 38448547
3-[methyl-(4-methylphenyl)sulfamoyl]-N-(2-pyrrolidin-1-ium-1-ylethyl)benzamide
CID 8531259
N-tert-butyl-3-[methyl-(4-methylphenyl)sulfamoyl]benzamide
CID 2670988
N-[4-(ethylcarbamoyl)phenyl]-3-[methyl-(4-methylphenyl)sulfamoyl]benzamide
CID 55802210
N-methyl-N-(4-methylphenyl)-3-[(pyridine-4-carbonylamino)carbamoyl]benzenesulfonamide
CID 25163438
N-(1-amino-2-methylpropan-2-yl)-3-[methyl-(4-methylphenyl)sulfamoyl]benzamide
CID 119521508
3-[methyl-(4-methylphenyl)sulfamoyl]-N-(1,3,4-thiadiazol-2-yl)benzamide
CID 29369730
N-[(3-methylphenyl)methyl]-4-[methyl(thiophen-2-ylsulfonyl)amino]benzamide
CID 53283060
methyl 3-[methyl-(4-methylphenyl)sulfamoyl]benzoate
CID 9273487
3-[methyl-(4-methylphenyl)sulfamoyl]-N-(3-propan-2-yloxypropyl)benzamide
CID 26861334

Frequently Asked Questions

What is the IUPAC name of 3-[methyl-(4-methylphenyl)sulfamoyl]-N-(thiophen-2-ylmethyl)benzamide?
The IUPAC name of 3-[methyl-(4-methylphenyl)sulfamoyl]-N-(thiophen-2-ylmethyl)benzamide (CID 7751591) is 3-[methyl-(4-methylphenyl)sulfamoyl]-N-(thiophen-2-ylmethyl)benzamide.
What is the SMILES notation for 3-[methyl-(4-methylphenyl)sulfamoyl]-N-(thiophen-2-ylmethyl)benzamide?
The canonical SMILES for 3-[methyl-(4-methylphenyl)sulfamoyl]-N-(thiophen-2-ylmethyl)benzamide is Cc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)NCc3cccs3)c2)cc1.
What is the InChIKey of 3-[methyl-(4-methylphenyl)sulfamoyl]-N-(thiophen-2-ylmethyl)benzamide?
The InChIKey is MCBDAXKOYJNUTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3S2/c1-15-8-10-17(11-9-15)22(2)27(24,25)19-7-3-5-16(13-19)20(23)21-14-18-6-4-12-26-18/h3-13H,14H2,1-2H3,(H,21,23).
What are the key properties of 3-[methyl-(4-methylphenyl)sulfamoyl]-N-(thiophen-2-ylmethyl)benzamide?
3-[methyl-(4-methylphenyl)sulfamoyl]-N-(thiophen-2-ylmethyl)benzamide has a molecular weight of 400.53 g/mol, XLogP of 3.81, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl-(4-methylphenyl)sulfamoyl]-N-(thiophen-2-ylmethyl)benzamide is sourced from PubChem (CID 7751591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).