N-[(3-methylphenyl)methyl]-4-[methyl(thiophen-2-ylsulfonyl)amino]benzamide

C20H20N2O3S2 — CID 53283060

IUPACN-[(3-methylphenyl)methyl]-4-[methyl(thiophen-2-ylsulfonyl)amino]benzamide
SMILESCc1cccc(CNC(=O)c2ccc(N(C)S(=O)(=O)c3cccs3)cc2)c1
InChIInChI=1S/C20H20N2O3S2/c1-15-5-3-6-16(13-15)14-21-20(23)17-8-10-18(11-9-17)22(2)27(24,25)19-7-4-12-26-19/h3-13H,14H2,1-2H3,(H,21,23)
InChIKeyNOFMTKNDWRFIMY-UHFFFAOYSA-N
MW400.53 g/mol
LogP3.81
Rot. Bonds6

About N-[(3-methylphenyl)methyl]-4-[methyl(thiophen-2-ylsulfonyl)amino]benzamide

N-[(3-methylphenyl)methyl]-4-[methyl(thiophen-2-ylsulfonyl)amino]benzamide (PubChem CID 53283060) has the molecular formula C20H20N2O3S2 and a molecular weight of 400.53 g/mol. Its IUPAC name is N-[(3-methylphenyl)methyl]-4-[methyl(thiophen-2-ylsulfonyl)amino]benzamide.

Molecular Properties

Compound NameN-[(3-methylphenyl)methyl]-4-[methyl(thiophen-2-ylsulfonyl)amino]benzamide
PubChem CID53283060
Molecular FormulaC20H20N2O3S2
Molecular Weight400.53 g/mol
Exact Mass400.09
IUPAC NameN-[(3-methylphenyl)methyl]-4-[methyl(thiophen-2-ylsulfonyl)amino]benzamide
SMILESCc1cccc(CNC(=O)c2ccc(N(C)S(=O)(=O)c3cccs3)cc2)c1
InChIInChI=1S/C20H20N2O3S2/c1-15-5-3-6-16(13-15)14-21-20(23)17-8-10-18(11-9-17)22(2)27(24,25)19-7-4-12-26-19/h3-13H,14H2,1-2H3,(H,21,23)
InChIKeyNOFMTKNDWRFIMY-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-[(3-fluorophenyl)methyl]-4-[methyl(thiophen-2-ylsulfonyl)amino]benzamide
CID 53283027
4-[methyl(thiophen-2-ylsulfonyl)amino]-N-[(3-propan-2-yloxyphenyl)methyl]benzamide
CID 53282991
4-[methyl(thiophen-2-ylsulfonyl)amino]-N-prop-2-enylbenzamide
CID 2989459
4-(dimethylsulfamoyl)-N-[(3-methylphenyl)methyl]benzamide
CID 38294565
3-[methyl-(4-methylphenyl)sulfamoyl]-N-(thiophen-2-ylmethyl)benzamide
CID 7751591
4-[methyl(thiophen-2-ylsulfonyl)amino]-N-pentan-3-ylbenzamide
CID 53283010
4-[ethyl(methylsulfonyl)amino]-N-[(3-methylphenyl)methyl]benzamide
CID 53282729
ethyl 4-[methyl(thiophen-2-ylsulfonyl)amino]benzoate
CID 2989771
4-[methyl(thiophen-2-ylsulfonyl)amino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 27261173
4-(hydroxymethyl)-N-[(3-methylphenyl)methyl]benzamide
CID 134067704
N-[(4-methylphenyl)methyl]-4-[methyl(phenyl)sulfamoyl]benzamide
CID 4801142
N-[[4-(methoxymethyl)phenyl]methyl]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide
CID 55615012

Frequently Asked Questions

What is the IUPAC name of N-[(3-methylphenyl)methyl]-4-[methyl(thiophen-2-ylsulfonyl)amino]benzamide?
The IUPAC name of N-[(3-methylphenyl)methyl]-4-[methyl(thiophen-2-ylsulfonyl)amino]benzamide (CID 53283060) is N-[(3-methylphenyl)methyl]-4-[methyl(thiophen-2-ylsulfonyl)amino]benzamide.
What is the SMILES notation for N-[(3-methylphenyl)methyl]-4-[methyl(thiophen-2-ylsulfonyl)amino]benzamide?
The canonical SMILES for N-[(3-methylphenyl)methyl]-4-[methyl(thiophen-2-ylsulfonyl)amino]benzamide is Cc1cccc(CNC(=O)c2ccc(N(C)S(=O)(=O)c3cccs3)cc2)c1.
What is the InChIKey of N-[(3-methylphenyl)methyl]-4-[methyl(thiophen-2-ylsulfonyl)amino]benzamide?
The InChIKey is NOFMTKNDWRFIMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3S2/c1-15-5-3-6-16(13-15)14-21-20(23)17-8-10-18(11-9-17)22(2)27(24,25)19-7-4-12-26-19/h3-13H,14H2,1-2H3,(H,21,23).
What are the key properties of N-[(3-methylphenyl)methyl]-4-[methyl(thiophen-2-ylsulfonyl)amino]benzamide?
N-[(3-methylphenyl)methyl]-4-[methyl(thiophen-2-ylsulfonyl)amino]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 N-[(3-methylphenyl)methyl]-4-[methyl(thiophen-2-ylsulfonyl)amino]benzamide is sourced from PubChem (CID 53283060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).