N-[(1R)-1-cyclopropylethyl]-4-[methyl(phenyl)sulfamoyl]benzamide

C19H22N2O3S — CID 8855715

IUPACN-[(1R)-1-cyclopropylethyl]-4-[methyl(phenyl)sulfamoyl]benzamide
SMILESC[C@@H](NC(=O)c1ccc(S(=O)(=O)N(C)c2ccccc2)cc1)C1CC1
InChIInChI=1S/C19H22N2O3S/c1-14(15-8-9-15)20-19(22)16-10-12-18(13-11-16)25(23,24)21(2)17-6-4-3-5-7-17/h3-7,10-15H,8-9H2,1-2H3,(H,20,22)/t14-/m1/s1
InChIKeyJCRHXPUSLUIEGA-CQSZACIVSA-N
MW358.46 g/mol
LogP3.04
Rot. Bonds6

About N-[(1R)-1-cyclopropylethyl]-4-[methyl(phenyl)sulfamoyl]benzamide

N-[(1R)-1-cyclopropylethyl]-4-[methyl(phenyl)sulfamoyl]benzamide (PubChem CID 8855715) has the molecular formula C19H22N2O3S and a molecular weight of 358.46 g/mol. Its IUPAC name is N-[(1R)-1-cyclopropylethyl]-4-[methyl(phenyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-[(1R)-1-cyclopropylethyl]-4-[methyl(phenyl)sulfamoyl]benzamide
PubChem CID8855715
Molecular FormulaC19H22N2O3S
Molecular Weight358.46 g/mol
Exact Mass358.14
IUPAC NameN-[(1R)-1-cyclopropylethyl]-4-[methyl(phenyl)sulfamoyl]benzamide
SMILESC[C@@H](NC(=O)c1ccc(S(=O)(=O)N(C)c2ccccc2)cc1)C1CC1
InChIInChI=1S/C19H22N2O3S/c1-14(15-8-9-15)20-19(22)16-10-12-18(13-11-16)25(23,24)21(2)17-6-4-3-5-7-17/h3-7,10-15H,8-9H2,1-2H3,(H,20,22)/t14-/m1/s1
InChIKeyJCRHXPUSLUIEGA-CQSZACIVSA-N
XLogP3.04
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[benzenesulfonyl(methyl)amino]-N-[(2R)-3-methylbutan-2-yl]benzamide
CID 100563895
N-[1-(4-chlorophenyl)ethyl]-4-[methyl(phenyl)sulfamoyl]benzamide
CID 112761400
4-(benzenesulfonamido)-N-(1-cyclopropylethyl)benzamide
CID 84975243
4-[benzenesulfonyl(methyl)amino]-N-[(2S)-butan-2-yl]benzamide
CID 762069
4-[methyl-(4-methylphenyl)sulfonylamino]-N-[(1S)-1-phenylethyl]benzamide
CID 1308883
N-[cyclopropyl(phenyl)methyl]-4-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 46516145
N-[4-(cyclopropylcarbamoylamino)phenyl]-4-[methyl(phenyl)sulfamoyl]benzamide
CID 46533296
4-[benzenesulfonyl(methyl)amino]-N-[(2R)-pentan-2-yl]benzamide
CID 1296697
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide
CID 46559786
4-methyl-N-[4-[methyl(phenyl)sulfamoyl]phenyl]benzamide
CID 1226832
N-(4-acetylphenyl)-4-[methyl(phenyl)sulfamoyl]benzamide
CID 2597397
4-benzamido-N-(1-cyclopropylethyl)benzamide
CID 134006926

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-cyclopropylethyl]-4-[methyl(phenyl)sulfamoyl]benzamide?
The IUPAC name of N-[(1R)-1-cyclopropylethyl]-4-[methyl(phenyl)sulfamoyl]benzamide (CID 8855715) is N-[(1R)-1-cyclopropylethyl]-4-[methyl(phenyl)sulfamoyl]benzamide.
What is the SMILES notation for N-[(1R)-1-cyclopropylethyl]-4-[methyl(phenyl)sulfamoyl]benzamide?
The canonical SMILES for N-[(1R)-1-cyclopropylethyl]-4-[methyl(phenyl)sulfamoyl]benzamide is C[C@@H](NC(=O)c1ccc(S(=O)(=O)N(C)c2ccccc2)cc1)C1CC1.
What is the InChIKey of N-[(1R)-1-cyclopropylethyl]-4-[methyl(phenyl)sulfamoyl]benzamide?
The InChIKey is JCRHXPUSLUIEGA-CQSZACIVSA-N. The full InChI is InChI=1S/C19H22N2O3S/c1-14(15-8-9-15)20-19(22)16-10-12-18(13-11-16)25(23,24)21(2)17-6-4-3-5-7-17/h3-7,10-15H,8-9H2,1-2H3,(H,20,22)/t14-/m1/s1.
What are the key properties of N-[(1R)-1-cyclopropylethyl]-4-[methyl(phenyl)sulfamoyl]benzamide?
N-[(1R)-1-cyclopropylethyl]-4-[methyl(phenyl)sulfamoyl]benzamide has a molecular weight of 358.46 g/mol, XLogP of 3.04, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-cyclopropylethyl]-4-[methyl(phenyl)sulfamoyl]benzamide is sourced from PubChem (CID 8855715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).