N-[4-[[(2R)-butan-2-yl]sulfamoyl]phenyl]-2-methylbenzamide

C18H22N2O3S — CID 40575887

IUPACN-[4-[[(2R)-butan-2-yl]sulfamoyl]phenyl]-2-methylbenzamide
SMILESCC[C@@H](C)NS(=O)(=O)c1ccc(NC(=O)c2ccccc2C)cc1
InChIInChI=1S/C18H22N2O3S/c1-4-14(3)20-24(22,23)16-11-9-15(10-12-16)19-18(21)17-8-6-5-7-13(17)2/h5-12,14,20H,4H2,1-3H3,(H,19,21)/t14-/m1/s1
InChIKeyJRCAWJGEIRIQFS-CQSZACIVSA-N
MW346.45 g/mol
LogP3.32
Rot. Bonds6

About N-[4-[[(2R)-butan-2-yl]sulfamoyl]phenyl]-2-methylbenzamide

N-[4-[[(2R)-butan-2-yl]sulfamoyl]phenyl]-2-methylbenzamide (PubChem CID 40575887) has the molecular formula C18H22N2O3S and a molecular weight of 346.45 g/mol. Its IUPAC name is N-[4-[[(2R)-butan-2-yl]sulfamoyl]phenyl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[4-[[(2R)-butan-2-yl]sulfamoyl]phenyl]-2-methylbenzamide
PubChem CID40575887
Molecular FormulaC18H22N2O3S
Molecular Weight346.45 g/mol
Exact Mass346.14
IUPAC NameN-[4-[[(2R)-butan-2-yl]sulfamoyl]phenyl]-2-methylbenzamide
SMILESCC[C@@H](C)NS(=O)(=O)c1ccc(NC(=O)c2ccccc2C)cc1
InChIInChI=1S/C18H22N2O3S/c1-4-14(3)20-24(22,23)16-11-9-15(10-12-16)19-18(21)17-8-6-5-7-13(17)2/h5-12,14,20H,4H2,1-3H3,(H,19,21)/t14-/m1/s1
InChIKeyJRCAWJGEIRIQFS-CQSZACIVSA-N
XLogP3.32
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-(butan-2-ylsulfamoyl)phenyl]carbamothioyl]-2-methylbenzamide
CID 17160307
N-[4-(butan-2-ylsulfamoyl)phenyl]-2-iodobenzamide
CID 3887794
N-[4-(butan-2-ylsulfamoyl)phenyl]-2-(2-methylphenyl)acetamide
CID 43877406
4-[[(2R)-butan-2-yl]sulfamoyl]-N-phenylbenzamide
CID 9340944
N-[4-(butan-2-ylsulfamoyl)phenyl]acetamide
CID 3113473
2-methyl-N-[4-(phenylsulfamoyl)phenyl]benzamide
CID 1333349
N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-2-methylbenzamide
CID 4933955
N-[4-(butylsulfamoyl)phenyl]-2-methylbenzamide
CID 4278982
N-[4-[[(2S)-butan-2-yl]sulfamoyl]phenyl]-4-phenylbenzamide
CID 2162899
N-[4-[(2-ethylphenyl)sulfamoyl]phenyl]-2-methylbenzamide
CID 22306495
4-[(2-methylbenzoyl)amino]benzenesulfonyl chloride
CID 13467302
4-(butan-2-ylsulfamoyl)-N-(4-chlorophenyl)benzamide
CID 46529057

Frequently Asked Questions

What is the IUPAC name of N-[4-[[(2R)-butan-2-yl]sulfamoyl]phenyl]-2-methylbenzamide?
The IUPAC name of N-[4-[[(2R)-butan-2-yl]sulfamoyl]phenyl]-2-methylbenzamide (CID 40575887) is N-[4-[[(2R)-butan-2-yl]sulfamoyl]phenyl]-2-methylbenzamide.
What is the SMILES notation for N-[4-[[(2R)-butan-2-yl]sulfamoyl]phenyl]-2-methylbenzamide?
The canonical SMILES for N-[4-[[(2R)-butan-2-yl]sulfamoyl]phenyl]-2-methylbenzamide is CC[C@@H](C)NS(=O)(=O)c1ccc(NC(=O)c2ccccc2C)cc1.
What is the InChIKey of N-[4-[[(2R)-butan-2-yl]sulfamoyl]phenyl]-2-methylbenzamide?
The InChIKey is JRCAWJGEIRIQFS-CQSZACIVSA-N. The full InChI is InChI=1S/C18H22N2O3S/c1-4-14(3)20-24(22,23)16-11-9-15(10-12-16)19-18(21)17-8-6-5-7-13(17)2/h5-12,14,20H,4H2,1-3H3,(H,19,21)/t14-/m1/s1.
What are the key properties of N-[4-[[(2R)-butan-2-yl]sulfamoyl]phenyl]-2-methylbenzamide?
N-[4-[[(2R)-butan-2-yl]sulfamoyl]phenyl]-2-methylbenzamide has a molecular weight of 346.45 g/mol, XLogP of 3.32, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(2R)-butan-2-yl]sulfamoyl]phenyl]-2-methylbenzamide is sourced from PubChem (CID 40575887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).