N-(2-butan-2-ylphenyl)-4-(2-sulfamoylphenyl)benzamide

C23H24N2O3S — CID 142083128

IUPACN-(2-butan-2-ylphenyl)-4-(2-sulfamoylphenyl)benzamide
SMILESCCC(C)c1ccccc1NC(=O)c1ccc(-c2ccccc2S(N)(=O)=O)cc1
InChIInChI=1S/C23H24N2O3S/c1-3-16(2)19-8-4-6-10-21(19)25-23(26)18-14-12-17(13-15-18)20-9-5-7-11-22(20)29(24,27)28/h4-16H,3H2,1-2H3,(H,25,26)(H2,24,27,28)
InChIKeyMOKFCHLTKMWXGV-UHFFFAOYSA-N
MW408.52 g/mol
LogP4.77
Rot. Bonds6

About N-(2-butan-2-ylphenyl)-4-(2-sulfamoylphenyl)benzamide

N-(2-butan-2-ylphenyl)-4-(2-sulfamoylphenyl)benzamide (PubChem CID 142083128) has the molecular formula C23H24N2O3S and a molecular weight of 408.52 g/mol. Its IUPAC name is N-(2-butan-2-ylphenyl)-4-(2-sulfamoylphenyl)benzamide.

Molecular Properties

Compound NameN-(2-butan-2-ylphenyl)-4-(2-sulfamoylphenyl)benzamide
PubChem CID142083128
Molecular FormulaC23H24N2O3S
Molecular Weight408.52 g/mol
Exact Mass408.15
IUPAC NameN-(2-butan-2-ylphenyl)-4-(2-sulfamoylphenyl)benzamide
SMILESCCC(C)c1ccccc1NC(=O)c1ccc(-c2ccccc2S(N)(=O)=O)cc1
InChIInChI=1S/C23H24N2O3S/c1-3-16(2)19-8-4-6-10-21(19)25-23(26)18-14-12-17(13-15-18)20-9-5-7-11-22(20)29(24,27)28/h4-16H,3H2,1-2H3,(H,25,26)(H2,24,27,28)
InChIKeyMOKFCHLTKMWXGV-UHFFFAOYSA-N
XLogP4.77
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.52
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[(2R)-butan-2-yl]phenyl]benzamide
CID 849169
N-[2-[(2R)-butan-2-yl]phenyl]-4-(cyclopropylsulfamoyl)benzamide
CID 40819169
[4-[[2-[(2R)-butan-2-yl]phenyl]carbamoyl]phenyl] acetate
CID 41121356
N-[2-[(2S)-butan-2-yl]phenyl]-4-(2-methylpropoxy)benzamide
CID 959904
N-[3-oxo-3-(2-sulfamoylanilino)propyl]-4-(2-sulfamoylphenyl)benzamide
CID 10207318
N-[2-[(2R)-butan-2-yl]phenyl]acetamide
CID 959734
N-[2-[(2R)-butan-2-yl]phenyl]-3-iodobenzamide
CID 2670800
[2-[2-[(2S)-butan-2-yl]anilino]-2-oxoethyl] 4-tert-butylbenzoate
CID 2365150
[2-[2-[(2R)-butan-2-yl]anilino]-2-oxoethyl] 4-tert-butylbenzoate
CID 2365149
methyl 3-[2-[[4-(2-sulfamoylphenyl)benzoyl]amino]phenoxy]naphthalene-2-carboxylate
CID 18727915
N-[2-[(2S)-butan-2-yl]phenyl]-3,5-dimethoxybenzamide
CID 2670827
N-[2-[(2S)-butan-2-yl]phenyl]-3,3-dimethylbutanamide
CID 94840429

Frequently Asked Questions

What is the IUPAC name of N-(2-butan-2-ylphenyl)-4-(2-sulfamoylphenyl)benzamide?
The IUPAC name of N-(2-butan-2-ylphenyl)-4-(2-sulfamoylphenyl)benzamide (CID 142083128) is N-(2-butan-2-ylphenyl)-4-(2-sulfamoylphenyl)benzamide.
What is the SMILES notation for N-(2-butan-2-ylphenyl)-4-(2-sulfamoylphenyl)benzamide?
The canonical SMILES for N-(2-butan-2-ylphenyl)-4-(2-sulfamoylphenyl)benzamide is CCC(C)c1ccccc1NC(=O)c1ccc(-c2ccccc2S(N)(=O)=O)cc1.
What is the InChIKey of N-(2-butan-2-ylphenyl)-4-(2-sulfamoylphenyl)benzamide?
The InChIKey is MOKFCHLTKMWXGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O3S/c1-3-16(2)19-8-4-6-10-21(19)25-23(26)18-14-12-17(13-15-18)20-9-5-7-11-22(20)29(24,27)28/h4-16H,3H2,1-2H3,(H,25,26)(H2,24,27,28).
What are the key properties of N-(2-butan-2-ylphenyl)-4-(2-sulfamoylphenyl)benzamide?
N-(2-butan-2-ylphenyl)-4-(2-sulfamoylphenyl)benzamide has a molecular weight of 408.52 g/mol, XLogP of 4.77, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-butan-2-ylphenyl)-4-(2-sulfamoylphenyl)benzamide is sourced from PubChem (CID 142083128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).