N-benzyl-N-cyclopropyl-4-(methanesulfonamido)benzamide

C18H20N2O3S — CID 38253884

IUPACN-benzyl-N-cyclopropyl-4-(methanesulfonamido)benzamide
SMILESCS(=O)(=O)Nc1ccc(C(=O)N(Cc2ccccc2)C2CC2)cc1
InChIInChI=1S/C18H20N2O3S/c1-24(22,23)19-16-9-7-15(8-10-16)18(21)20(17-11-12-17)13-14-5-3-2-4-6-14/h2-10,17,19H,11-13H2,1H3
InChIKeyQULIESFEXYTULH-UHFFFAOYSA-N
MW344.44 g/mol
LogP2.86
Rot. Bonds6

About N-benzyl-N-cyclopropyl-4-(methanesulfonamido)benzamide

N-benzyl-N-cyclopropyl-4-(methanesulfonamido)benzamide (PubChem CID 38253884) has the molecular formula C18H20N2O3S and a molecular weight of 344.44 g/mol. Its IUPAC name is N-benzyl-N-cyclopropyl-4-(methanesulfonamido)benzamide.

Molecular Properties

Compound NameN-benzyl-N-cyclopropyl-4-(methanesulfonamido)benzamide
PubChem CID38253884
Molecular FormulaC18H20N2O3S
Molecular Weight344.44 g/mol
Exact Mass344.12
IUPAC NameN-benzyl-N-cyclopropyl-4-(methanesulfonamido)benzamide
SMILESCS(=O)(=O)Nc1ccc(C(=O)N(Cc2ccccc2)C2CC2)cc1
InChIInChI=1S/C18H20N2O3S/c1-24(22,23)19-16-9-7-15(8-10-16)18(21)20(17-11-12-17)13-14-5-3-2-4-6-14/h2-10,17,19H,11-13H2,1H3
InChIKeyQULIESFEXYTULH-UHFFFAOYSA-N
XLogP2.86
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 ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[cyclopropyl-[4-(methanesulfonamido)benzoyl]amino]acetic acid
CID 60826728
N-benzyl-4-(bromomethyl)-N-cyclopropylbenzamide
CID 102850934
4-[[benzoyl(cyclopropyl)amino]methyl]-N-methylbenzamide
CID 33351912
N-benzyl-N-cyclopropyl-3-[(4-methoxyphenyl)sulfamoyl]-4-methylbenzamide
CID 38252606
N-cyclopentyl-4-(methanesulfonamido)-N-prop-2-enylbenzamide
CID 51093124
N-cyclopropyl-N-[(4-methylphenyl)methyl]-4-methylsulfonylbenzamide
CID 32589766
4-[[cyclopropyl-(4-methylsulfonylbenzoyl)amino]methyl]-N-methylbenzamide
CID 33351444
N-benzyl-N-cyclopropyl-2-methyl-4-methylsulfonylbenzamide
CID 171676502
N-[4-[[(4-aminocyclohexyl)-benzoylamino]methyl]phenyl]benzamide
CID 23913041
N-cyclopropyl-4-[(3,4-dimethylphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)benzamide
CID 55488324
N-cyclopropyl-4-[(3,4-difluorophenyl)sulfonylamino]-N-[(4-fluorophenyl)methyl]benzamide
CID 26426471
N-benzyl-N-cyclopropyl-4-(furan-2-ylmethylsulfamoyl)benzamide
CID 38253066

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-cyclopropyl-4-(methanesulfonamido)benzamide?
The IUPAC name of N-benzyl-N-cyclopropyl-4-(methanesulfonamido)benzamide (CID 38253884) is N-benzyl-N-cyclopropyl-4-(methanesulfonamido)benzamide.
What is the SMILES notation for N-benzyl-N-cyclopropyl-4-(methanesulfonamido)benzamide?
The canonical SMILES for N-benzyl-N-cyclopropyl-4-(methanesulfonamido)benzamide is CS(=O)(=O)Nc1ccc(C(=O)N(Cc2ccccc2)C2CC2)cc1.
What is the InChIKey of N-benzyl-N-cyclopropyl-4-(methanesulfonamido)benzamide?
The InChIKey is QULIESFEXYTULH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3S/c1-24(22,23)19-16-9-7-15(8-10-16)18(21)20(17-11-12-17)13-14-5-3-2-4-6-14/h2-10,17,19H,11-13H2,1H3.
What are the key properties of N-benzyl-N-cyclopropyl-4-(methanesulfonamido)benzamide?
N-benzyl-N-cyclopropyl-4-(methanesulfonamido)benzamide has a molecular weight of 344.44 g/mol, XLogP of 2.86, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-cyclopropyl-4-(methanesulfonamido)benzamide is sourced from PubChem (CID 38253884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).