N-[4-(butylsulfamoyl)phenyl]-2-methylbenzamide

C18H22N2O3S — CID 4278982

IUPACN-[4-(butylsulfamoyl)phenyl]-2-methylbenzamide
SMILESCCCCNS(=O)(=O)c1ccc(NC(=O)c2ccccc2C)cc1
InChIInChI=1S/C18H22N2O3S/c1-3-4-13-19-24(22,23)16-11-9-15(10-12-16)20-18(21)17-8-6-5-7-14(17)2/h5-12,19H,3-4,13H2,1-2H3,(H,20,21)
InChIKeyQGPGQKBKVBWARI-UHFFFAOYSA-N
MW346.45 g/mol
LogP3.33
Rot. Bonds7

About N-[4-(butylsulfamoyl)phenyl]-2-methylbenzamide

N-[4-(butylsulfamoyl)phenyl]-2-methylbenzamide (PubChem CID 4278982) has the molecular formula C18H22N2O3S and a molecular weight of 346.45 g/mol. Its IUPAC name is N-[4-(butylsulfamoyl)phenyl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[4-(butylsulfamoyl)phenyl]-2-methylbenzamide
PubChem CID4278982
Molecular FormulaC18H22N2O3S
Molecular Weight346.45 g/mol
Exact Mass346.14
IUPAC NameN-[4-(butylsulfamoyl)phenyl]-2-methylbenzamide
SMILESCCCCNS(=O)(=O)c1ccc(NC(=O)c2ccccc2C)cc1
InChIInChI=1S/C18H22N2O3S/c1-3-4-13-19-24(22,23)16-11-9-15(10-12-16)20-18(21)17-8-6-5-7-14(17)2/h5-12,19H,3-4,13H2,1-2H3,(H,20,21)
InChIKeyQGPGQKBKVBWARI-UHFFFAOYSA-N
XLogP3.33
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-bromo-N-[4-(butylsulfamoyl)phenyl]benzamide
CID 2162853
N-[4-(butylsulfamoyl)phenyl]-2-[[2-[[4-(butylsulfamoyl)phenyl]carbamoyl]phenyl]diselanyl]benzamide
CID 10724138
N-[4-(hexylsulfamoyl)phenyl]-2-iodobenzamide
CID 4251063
N-[4-[[(2R)-butan-2-yl]sulfamoyl]phenyl]-2-methylbenzamide
CID 40575887
2-methyl-N-[4-(phenylsulfamoyl)phenyl]benzamide
CID 1333349
N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-2-methylbenzamide
CID 4933955
N-[4-(propylsulfamoyl)phenyl]-2-propylsulfonylbenzamide
CID 17225015
2,4-dimethyl-N-[4-(propylsulfamoyl)phenyl]benzamide
CID 38352261
N-[4-[(2-ethylphenyl)sulfamoyl]phenyl]-2-methylbenzamide
CID 22306495
4-[(2-methylbenzoyl)amino]benzenesulfonyl chloride
CID 13467302
N-[4-(butylsulfamoyl)phenyl]-5-(diethylsulfamoyl)-2-methoxybenzamide
CID 19257784
5-(butylsulfamoyl)-N,2-dimethylbenzamide
CID 6464049

Frequently Asked Questions

What is the IUPAC name of N-[4-(butylsulfamoyl)phenyl]-2-methylbenzamide?
The IUPAC name of N-[4-(butylsulfamoyl)phenyl]-2-methylbenzamide (CID 4278982) is N-[4-(butylsulfamoyl)phenyl]-2-methylbenzamide.
What is the SMILES notation for N-[4-(butylsulfamoyl)phenyl]-2-methylbenzamide?
The canonical SMILES for N-[4-(butylsulfamoyl)phenyl]-2-methylbenzamide is CCCCNS(=O)(=O)c1ccc(NC(=O)c2ccccc2C)cc1.
What is the InChIKey of N-[4-(butylsulfamoyl)phenyl]-2-methylbenzamide?
The InChIKey is QGPGQKBKVBWARI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3S/c1-3-4-13-19-24(22,23)16-11-9-15(10-12-16)20-18(21)17-8-6-5-7-14(17)2/h5-12,19H,3-4,13H2,1-2H3,(H,20,21).
What are the key properties of N-[4-(butylsulfamoyl)phenyl]-2-methylbenzamide?
N-[4-(butylsulfamoyl)phenyl]-2-methylbenzamide has a molecular weight of 346.45 g/mol, XLogP of 3.33, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(butylsulfamoyl)phenyl]-2-methylbenzamide is sourced from PubChem (CID 4278982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).