N-methyl-N-[(4-methylphenyl)methyl]-3-(propylsulfonylamino)benzamide

C19H24N2O3S — CID 36715347

IUPACN-methyl-N-[(4-methylphenyl)methyl]-3-(propylsulfonylamino)benzamide
SMILESCCCS(=O)(=O)Nc1cccc(C(=O)N(C)Cc2ccc(C)cc2)c1
InChIInChI=1S/C19H24N2O3S/c1-4-12-25(23,24)20-18-7-5-6-17(13-18)19(22)21(3)14-16-10-8-15(2)9-11-16/h5-11,13,20H,4,12,14H2,1-3H3
InChIKeyAQJDGBSEYDZNMT-UHFFFAOYSA-N
MW360.48 g/mol
LogP3.42
Rot. Bonds7

About N-methyl-N-[(4-methylphenyl)methyl]-3-(propylsulfonylamino)benzamide

N-methyl-N-[(4-methylphenyl)methyl]-3-(propylsulfonylamino)benzamide (PubChem CID 36715347) has the molecular formula C19H24N2O3S and a molecular weight of 360.48 g/mol. Its IUPAC name is N-methyl-N-[(4-methylphenyl)methyl]-3-(propylsulfonylamino)benzamide.

Molecular Properties

Compound NameN-methyl-N-[(4-methylphenyl)methyl]-3-(propylsulfonylamino)benzamide
PubChem CID36715347
Molecular FormulaC19H24N2O3S
Molecular Weight360.48 g/mol
Exact Mass360.15
IUPAC NameN-methyl-N-[(4-methylphenyl)methyl]-3-(propylsulfonylamino)benzamide
SMILESCCCS(=O)(=O)Nc1cccc(C(=O)N(C)Cc2ccc(C)cc2)c1
InChIInChI=1S/C19H24N2O3S/c1-4-12-25(23,24)20-18-7-5-6-17(13-18)19(22)21(3)14-16-10-8-15(2)9-11-16/h5-11,13,20H,4,12,14H2,1-3H3
InChIKeyAQJDGBSEYDZNMT-UHFFFAOYSA-N
XLogP3.42
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 ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-dimethyl-3-(propylsulfonylamino)benzamide
CID 46449543
N-[(2-fluorophenyl)methyl]-N-methyl-3-(propylsulfonylamino)benzamide
CID 37137902
3-(methanesulfonamido)-N-methyl-N-[(4-methylsulfanylphenyl)methyl]benzamide
CID 24673390
N-methyl-N-(2-phenoxyethyl)-3-(propylsulfonylamino)benzamide
CID 39320103
3-iodo-N-methyl-N-[(4-methylphenyl)methyl]benzamide
CID 60631085
3-(benzenesulfonamido)-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]benzamide
CID 38745291
N-(furan-2-ylmethyl)-N-methyl-3-[(4-methylphenyl)sulfonylamino]benzamide
CID 26711931
3-bromo-N-[(4-bromophenyl)methyl]-N-methylbenzamide
CID 31145203
N-[2-(dimethylamino)-2-oxoethyl]-N-methyl-3-[(4-methylphenyl)sulfonylamino]benzamide
CID 9227126
N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-3-(propylsulfonylamino)benzamide
CID 25331324
N-benzyl-N-methyl-3-[2-(4-methylphenoxy)butanoylamino]benzamide
CID 43877329
3-(methanesulfonamido)-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylbenzamide
CID 18117006

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(4-methylphenyl)methyl]-3-(propylsulfonylamino)benzamide?
The IUPAC name of N-methyl-N-[(4-methylphenyl)methyl]-3-(propylsulfonylamino)benzamide (CID 36715347) is N-methyl-N-[(4-methylphenyl)methyl]-3-(propylsulfonylamino)benzamide.
What is the SMILES notation for N-methyl-N-[(4-methylphenyl)methyl]-3-(propylsulfonylamino)benzamide?
The canonical SMILES for N-methyl-N-[(4-methylphenyl)methyl]-3-(propylsulfonylamino)benzamide is CCCS(=O)(=O)Nc1cccc(C(=O)N(C)Cc2ccc(C)cc2)c1.
What is the InChIKey of N-methyl-N-[(4-methylphenyl)methyl]-3-(propylsulfonylamino)benzamide?
The InChIKey is AQJDGBSEYDZNMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3S/c1-4-12-25(23,24)20-18-7-5-6-17(13-18)19(22)21(3)14-16-10-8-15(2)9-11-16/h5-11,13,20H,4,12,14H2,1-3H3.
What are the key properties of N-methyl-N-[(4-methylphenyl)methyl]-3-(propylsulfonylamino)benzamide?
N-methyl-N-[(4-methylphenyl)methyl]-3-(propylsulfonylamino)benzamide has a molecular weight of 360.48 g/mol, XLogP of 3.42, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(4-methylphenyl)methyl]-3-(propylsulfonylamino)benzamide is sourced from PubChem (CID 36715347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).