N-(2-methylpropyl)-4-[(N-methylsulfonylanilino)methyl]benzamide

C19H24N2O3S — CID 1106193

IUPACN-(2-methylpropyl)-4-[(N-methylsulfonylanilino)methyl]benzamide
SMILESCC(C)CNC(=O)c1ccc(CN(c2ccccc2)S(C)(=O)=O)cc1
InChIInChI=1S/C19H24N2O3S/c1-15(2)13-20-19(22)17-11-9-16(10-12-17)14-21(25(3,23)24)18-7-5-4-6-8-18/h4-12,15H,13-14H2,1-3H3,(H,20,22)
InChIKeyPRPPTYHJLXNIAF-UHFFFAOYSA-N
MW360.48 g/mol
LogP3.04
Rot. Bonds7

About N-(2-methylpropyl)-4-[(N-methylsulfonylanilino)methyl]benzamide

N-(2-methylpropyl)-4-[(N-methylsulfonylanilino)methyl]benzamide (PubChem CID 1106193) has the molecular formula C19H24N2O3S and a molecular weight of 360.48 g/mol. Its IUPAC name is N-(2-methylpropyl)-4-[(N-methylsulfonylanilino)methyl]benzamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-4-[(N-methylsulfonylanilino)methyl]benzamide
PubChem CID1106193
Molecular FormulaC19H24N2O3S
Molecular Weight360.48 g/mol
Exact Mass360.15
IUPAC NameN-(2-methylpropyl)-4-[(N-methylsulfonylanilino)methyl]benzamide
SMILESCC(C)CNC(=O)c1ccc(CN(c2ccccc2)S(C)(=O)=O)cc1
InChIInChI=1S/C19H24N2O3S/c1-15(2)13-20-19(22)17-11-9-16(10-12-17)14-21(25(3,23)24)18-7-5-4-6-8-18/h4-12,15H,13-14H2,1-3H3,(H,20,22)
InChIKeyPRPPTYHJLXNIAF-UHFFFAOYSA-N
XLogP3.04
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(N-methylsulfonylanilino)methyl]-N-[2-[[4-[(N-methylsulfonylanilino)methyl]benzoyl]amino]propyl]benzamide
CID 3119032
4-[benzyl(methylsulfonyl)amino]-N-(2-phenylpropyl)benzamide
CID 133185354
N-(3-methyl-1-phenylbutyl)-4-[(N-methylsulfonylanilino)methyl]benzamide
CID 43907434
N-[(4-methoxyphenyl)methyl]-4-[(N-methylsulfonylanilino)methyl]benzamide
CID 1118173
N-(furan-2-ylmethyl)-4-[(N-methylsulfonylanilino)methyl]benzamide
CID 1107707
4-[benzyl(methylsulfonyl)amino]-N-(3-methylbutan-2-yl)benzamide
CID 133243740
4-[(3,4-difluoro-N-methylsulfonylanilino)methyl]-N-(2-phenylpropyl)benzamide
CID 133202031
4-[(2,6-dichloro-N-methylsulfonylanilino)methyl]-N-(2-phenylpropyl)benzamide
CID 133202079
4-[(N-methylsulfonylanilino)methyl]-N-(pyridin-3-ylmethyl)benzamide
CID 1107721
2-[[4-[(3,4-dimethyl-N-methylsulfonylanilino)methyl]benzoyl]amino]-N-(2-methylpropyl)benzamide
CID 126118795
4-[(N-methylsulfonylanilino)methyl]-N-(4-phenylphenyl)benzamide
CID 1363161
4-[benzyl(methylsulfonyl)amino]-N-[(1R)-1-phenylethyl]benzamide
CID 1106273

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-4-[(N-methylsulfonylanilino)methyl]benzamide?
The IUPAC name of N-(2-methylpropyl)-4-[(N-methylsulfonylanilino)methyl]benzamide (CID 1106193) is N-(2-methylpropyl)-4-[(N-methylsulfonylanilino)methyl]benzamide.
What is the SMILES notation for N-(2-methylpropyl)-4-[(N-methylsulfonylanilino)methyl]benzamide?
The canonical SMILES for N-(2-methylpropyl)-4-[(N-methylsulfonylanilino)methyl]benzamide is CC(C)CNC(=O)c1ccc(CN(c2ccccc2)S(C)(=O)=O)cc1.
What is the InChIKey of N-(2-methylpropyl)-4-[(N-methylsulfonylanilino)methyl]benzamide?
The InChIKey is PRPPTYHJLXNIAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3S/c1-15(2)13-20-19(22)17-11-9-16(10-12-17)14-21(25(3,23)24)18-7-5-4-6-8-18/h4-12,15H,13-14H2,1-3H3,(H,20,22).
What are the key properties of N-(2-methylpropyl)-4-[(N-methylsulfonylanilino)methyl]benzamide?
N-(2-methylpropyl)-4-[(N-methylsulfonylanilino)methyl]benzamide has a molecular weight of 360.48 g/mol, XLogP of 3.04, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-4-[(N-methylsulfonylanilino)methyl]benzamide is sourced from PubChem (CID 1106193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).