N-[(2S)-butan-2-yl]-2-[methyl(phenyl)sulfamoyl]benzamide

C18H22N2O3S — CID 95374636

IUPACN-[(2S)-butan-2-yl]-2-[methyl(phenyl)sulfamoyl]benzamide
SMILESCC[C@H](C)NC(=O)c1ccccc1S(=O)(=O)N(C)c1ccccc1
InChIInChI=1S/C18H22N2O3S/c1-4-14(2)19-18(21)16-12-8-9-13-17(16)24(22,23)20(3)15-10-6-5-7-11-15/h5-14H,4H2,1-3H3,(H,19,21)/t14-/m0/s1
InChIKeyUZWMBIHQMJWBEX-AWEZNQCLSA-N
MW346.45 g/mol
LogP3.04
Rot. Bonds6

About N-[(2S)-butan-2-yl]-2-[methyl(phenyl)sulfamoyl]benzamide

N-[(2S)-butan-2-yl]-2-[methyl(phenyl)sulfamoyl]benzamide (PubChem CID 95374636) has the molecular formula C18H22N2O3S and a molecular weight of 346.45 g/mol. Its IUPAC name is N-[(2S)-butan-2-yl]-2-[methyl(phenyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-[(2S)-butan-2-yl]-2-[methyl(phenyl)sulfamoyl]benzamide
PubChem CID95374636
Molecular FormulaC18H22N2O3S
Molecular Weight346.45 g/mol
Exact Mass346.14
IUPAC NameN-[(2S)-butan-2-yl]-2-[methyl(phenyl)sulfamoyl]benzamide
SMILESCC[C@H](C)NC(=O)c1ccccc1S(=O)(=O)N(C)c1ccccc1
InChIInChI=1S/C18H22N2O3S/c1-4-14(2)19-18(21)16-12-8-9-13-17(16)24(22,23)20(3)15-10-6-5-7-11-15/h5-14H,4H2,1-3H3,(H,19,21)/t14-/m0/s1
InChIKeyUZWMBIHQMJWBEX-AWEZNQCLSA-N
XLogP3.04
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-aminobutyl)-2-[methyl(phenyl)sulfamoyl]benzamide
CID 119494860
N-butan-2-yl-2-propylsulfonylbenzamide
CID 17224858
4-[benzenesulfonyl(methyl)amino]-N-[(2S)-butan-2-yl]benzamide
CID 762069
2-[[4-[benzenesulfonyl(methyl)amino]benzoyl]amino]-N-butan-2-ylbenzamide
CID 2943385
N-(3-hydroxypropyl)-2-[methyl(phenyl)sulfamoyl]benzamide
CID 78857762
N-(4-fluorophenyl)-2-[methyl(phenyl)sulfamoyl]benzamide
CID 78775226
N-butan-2-yl-2-[[4-[methyl-(4-methylphenyl)sulfonylamino]benzoyl]amino]benzamide
CID 2947855
4-[benzenesulfonyl(methyl)amino]-N-[(2R)-pentan-2-yl]benzamide
CID 1296697
5-[benzenesulfonyl(methyl)amino]-N-butan-2-ylpyridine-3-carboxamide
CID 50795469
N-methyl-2-[4-(2-methylpropyl)piperazine-1-carbonyl]-N-phenylbenzenesulfonamide
CID 112765512
[2-oxo-2-(N-propan-2-ylanilino)ethyl] 2-[methyl(phenyl)sulfamoyl]benzoate
CID 2577910
N-[(2R)-butan-2-yl]-2-(methanesulfonamido)benzamide
CID 967070

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-butan-2-yl]-2-[methyl(phenyl)sulfamoyl]benzamide?
The IUPAC name of N-[(2S)-butan-2-yl]-2-[methyl(phenyl)sulfamoyl]benzamide (CID 95374636) is N-[(2S)-butan-2-yl]-2-[methyl(phenyl)sulfamoyl]benzamide.
What is the SMILES notation for N-[(2S)-butan-2-yl]-2-[methyl(phenyl)sulfamoyl]benzamide?
The canonical SMILES for N-[(2S)-butan-2-yl]-2-[methyl(phenyl)sulfamoyl]benzamide is CC[C@H](C)NC(=O)c1ccccc1S(=O)(=O)N(C)c1ccccc1.
What is the InChIKey of N-[(2S)-butan-2-yl]-2-[methyl(phenyl)sulfamoyl]benzamide?
The InChIKey is UZWMBIHQMJWBEX-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H22N2O3S/c1-4-14(2)19-18(21)16-12-8-9-13-17(16)24(22,23)20(3)15-10-6-5-7-11-15/h5-14H,4H2,1-3H3,(H,19,21)/t14-/m0/s1.
What are the key properties of N-[(2S)-butan-2-yl]-2-[methyl(phenyl)sulfamoyl]benzamide?
N-[(2S)-butan-2-yl]-2-[methyl(phenyl)sulfamoyl]benzamide has a molecular weight of 346.45 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-[(2S)-butan-2-yl]-2-[methyl(phenyl)sulfamoyl]benzamide is sourced from PubChem (CID 95374636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).