2-[benzyl(methylsulfonyl)amino]-N-cyclopropylbenzamide

C18H20N2O3S — CID 53280424

IUPAC2-[benzyl(methylsulfonyl)amino]-N-cyclopropylbenzamide
SMILESCS(=O)(=O)N(Cc1ccccc1)c1ccccc1C(=O)NC1CC1
InChIInChI=1S/C18H20N2O3S/c1-24(22,23)20(13-14-7-3-2-4-8-14)17-10-6-5-9-16(17)18(21)19-15-11-12-15/h2-10,15H,11-13H2,1H3,(H,19,21)
InChIKeyLWLDAYVONLNYNR-UHFFFAOYSA-N
MW344.44 g/mol
LogP2.55
Rot. Bonds6

About 2-[benzyl(methylsulfonyl)amino]-N-cyclopropylbenzamide

2-[benzyl(methylsulfonyl)amino]-N-cyclopropylbenzamide (PubChem CID 53280424) has the molecular formula C18H20N2O3S and a molecular weight of 344.44 g/mol. Its IUPAC name is 2-[benzyl(methylsulfonyl)amino]-N-cyclopropylbenzamide.

Molecular Properties

Compound Name2-[benzyl(methylsulfonyl)amino]-N-cyclopropylbenzamide
PubChem CID53280424
Molecular FormulaC18H20N2O3S
Molecular Weight344.44 g/mol
Exact Mass344.12
IUPAC Name2-[benzyl(methylsulfonyl)amino]-N-cyclopropylbenzamide
SMILESCS(=O)(=O)N(Cc1ccccc1)c1ccccc1C(=O)NC1CC1
InChIInChI=1S/C18H20N2O3S/c1-24(22,23)20(13-14-7-3-2-4-8-14)17-10-6-5-9-16(17)18(21)19-15-11-12-15/h2-10,15H,11-13H2,1H3,(H,19,21)
InChIKeyLWLDAYVONLNYNR-UHFFFAOYSA-N
XLogP2.55
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[benzyl(methylsulfonyl)amino]-N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]benzamide
CID 1202343
2-[benzyl(methylsulfonyl)amino]-N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]benzamide
CID 6732970
2-[benzyl(methylsulfonyl)amino]-N-phenylbenzamide
CID 1106248
2-[benzyl-(4-methylphenyl)sulfonylamino]-N-cyclopentylbenzamide
CID 1108722
2-[benzyl(methylsulfonyl)amino]-N-(3,4-dimethylphenyl)benzamide
CID 1106259
N-benzyl-N-[2-(pyrrolidine-1-carbonyl)phenyl]methanesulfonamide
CID 1361405
2-[benzyl(methylsulfonyl)amino]-N-cyclohexyl-N-methylbenzamide
CID 46778449
2-[benzyl(methylsulfonyl)amino]-N-(3-chloro-4-methylphenyl)benzamide
CID 1107749
N-cyclohexyl-4-[(2-fluoro-N-methylsulfonylanilino)methyl]benzamide
CID 53287040
2-[benzyl(methylsulfonyl)amino]-N-(2-ethoxyphenyl)benzamide
CID 1107753
N-(3-acetylphenyl)-2-[benzyl(methylsulfonyl)amino]benzamide
CID 1361093
2-[benzyl(methylsulfonyl)amino]-N-(2-phenylsulfanylphenyl)benzamide
CID 1298465

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl(methylsulfonyl)amino]-N-cyclopropylbenzamide?
The IUPAC name of 2-[benzyl(methylsulfonyl)amino]-N-cyclopropylbenzamide (CID 53280424) is 2-[benzyl(methylsulfonyl)amino]-N-cyclopropylbenzamide.
What is the SMILES notation for 2-[benzyl(methylsulfonyl)amino]-N-cyclopropylbenzamide?
The canonical SMILES for 2-[benzyl(methylsulfonyl)amino]-N-cyclopropylbenzamide is CS(=O)(=O)N(Cc1ccccc1)c1ccccc1C(=O)NC1CC1.
What is the InChIKey of 2-[benzyl(methylsulfonyl)amino]-N-cyclopropylbenzamide?
The InChIKey is LWLDAYVONLNYNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3S/c1-24(22,23)20(13-14-7-3-2-4-8-14)17-10-6-5-9-16(17)18(21)19-15-11-12-15/h2-10,15H,11-13H2,1H3,(H,19,21).
What are the key properties of 2-[benzyl(methylsulfonyl)amino]-N-cyclopropylbenzamide?
2-[benzyl(methylsulfonyl)amino]-N-cyclopropylbenzamide has a molecular weight of 344.44 g/mol, XLogP of 2.55, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl(methylsulfonyl)amino]-N-cyclopropylbenzamide is sourced from PubChem (CID 53280424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).