N-(cyclopropylmethyl)-3-(methanesulfonamido)benzamide

C12H16N2O3S — CID 33457615

IUPACN-(cyclopropylmethyl)-3-(methanesulfonamido)benzamide
SMILESCS(=O)(=O)Nc1cccc(C(=O)NCC2CC2)c1
InChIInChI=1S/C12H16N2O3S/c1-18(16,17)14-11-4-2-3-10(7-11)12(15)13-8-9-5-6-9/h2-4,7,9,14H,5-6,8H2,1H3,(H,13,15)
InChIKeyYLGRKFPXMHKMLW-UHFFFAOYSA-N
MW268.34 g/mol
LogP1.20
Rot. Bonds5

About N-(cyclopropylmethyl)-3-(methanesulfonamido)benzamide

N-(cyclopropylmethyl)-3-(methanesulfonamido)benzamide (PubChem CID 33457615) has the molecular formula C12H16N2O3S and a molecular weight of 268.34 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-3-(methanesulfonamido)benzamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-3-(methanesulfonamido)benzamide
PubChem CID33457615
Molecular FormulaC12H16N2O3S
Molecular Weight268.34 g/mol
Exact Mass268.09
IUPAC NameN-(cyclopropylmethyl)-3-(methanesulfonamido)benzamide
SMILESCS(=O)(=O)Nc1cccc(C(=O)NCC2CC2)c1
InChIInChI=1S/C12H16N2O3S/c1-18(16,17)14-11-4-2-3-10(7-11)12(15)13-8-9-5-6-9/h2-4,7,9,14H,5-6,8H2,1H3,(H,13,15)
InChIKeyYLGRKFPXMHKMLW-UHFFFAOYSA-N
XLogP1.20
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-cyclopentylsulfanylethyl)-3-(methanesulfonamido)benzamide
CID 32541665
N-ethyl-3-[[3-(methanesulfonamido)benzoyl]amino]benzamide
CID 18151214
N-(cyclopentylmethyl)-3-(methanesulfonamido)-N-methylbenzamide
CID 52793258
N-[3-[3-(methanesulfonamido)benzoyl]phenyl]methanesulfonamide
CID 127038503
(3S)-N-(cyclohexylmethyl)-1-[3-(methanesulfonamido)benzoyl]piperidine-3-carboxamide
CID 92729695
3-(methanesulfonamido)-N-[3-(2-methylpiperidin-1-yl)propyl]benzamide
CID 51221498
benzyl 2-[[3-(methanesulfonamido)benzoyl]amino]acetate
CID 30581707
methyl N-[4-[[[3-(methanesulfonamido)benzoyl]amino]methyl]phenyl]carbamate
CID 55846947
N-[(3,4-dimethoxyphenyl)methyl]-3-(methanesulfonamido)benzamide
CID 38001059
N-(cyclopropylmethyl)-3-[(4-ethoxyphenyl)sulfamoyl]benzamide
CID 43047280
N-[(2,3-dimethoxyphenyl)methyl]-3-(methanesulfonamido)benzamide
CID 55583363
N-[3-(4-ethylpiperazin-1-yl)propyl]-3-(methanesulfonamido)benzamide
CID 55660415

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-3-(methanesulfonamido)benzamide?
The IUPAC name of N-(cyclopropylmethyl)-3-(methanesulfonamido)benzamide (CID 33457615) is N-(cyclopropylmethyl)-3-(methanesulfonamido)benzamide.
What is the SMILES notation for N-(cyclopropylmethyl)-3-(methanesulfonamido)benzamide?
The canonical SMILES for N-(cyclopropylmethyl)-3-(methanesulfonamido)benzamide is CS(=O)(=O)Nc1cccc(C(=O)NCC2CC2)c1.
What is the InChIKey of N-(cyclopropylmethyl)-3-(methanesulfonamido)benzamide?
The InChIKey is YLGRKFPXMHKMLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3S/c1-18(16,17)14-11-4-2-3-10(7-11)12(15)13-8-9-5-6-9/h2-4,7,9,14H,5-6,8H2,1H3,(H,13,15).
What are the key properties of N-(cyclopropylmethyl)-3-(methanesulfonamido)benzamide?
N-(cyclopropylmethyl)-3-(methanesulfonamido)benzamide has a molecular weight of 268.34 g/mol, XLogP of 1.20, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-3-(methanesulfonamido)benzamide is sourced from PubChem (CID 33457615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).