N-(1-phenylbutyl)-4-(prop-2-enylsulfamoyl)benzamide

C20H24N2O3S — CID 24547891

IUPACN-(1-phenylbutyl)-4-(prop-2-enylsulfamoyl)benzamide
SMILESC=CCNS(=O)(=O)c1ccc(C(=O)NC(CCC)c2ccccc2)cc1
InChIInChI=1S/C20H24N2O3S/c1-3-8-19(16-9-6-5-7-10-16)22-20(23)17-11-13-18(14-12-17)26(24,25)21-15-4-2/h4-7,9-14,19,21H,2-3,8,15H2,1H3,(H,22,23)
InChIKeyDCQBFHSIJWTJJB-UHFFFAOYSA-N
MW372.49 g/mol
LogP3.42
Rot. Bonds9

About N-(1-phenylbutyl)-4-(prop-2-enylsulfamoyl)benzamide

N-(1-phenylbutyl)-4-(prop-2-enylsulfamoyl)benzamide (PubChem CID 24547891) has the molecular formula C20H24N2O3S and a molecular weight of 372.49 g/mol. Its IUPAC name is N-(1-phenylbutyl)-4-(prop-2-enylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-(1-phenylbutyl)-4-(prop-2-enylsulfamoyl)benzamide
PubChem CID24547891
Molecular FormulaC20H24N2O3S
Molecular Weight372.49 g/mol
Exact Mass372.15
IUPAC NameN-(1-phenylbutyl)-4-(prop-2-enylsulfamoyl)benzamide
SMILESC=CCNS(=O)(=O)c1ccc(C(=O)NC(CCC)c2ccccc2)cc1
InChIInChI=1S/C20H24N2O3S/c1-3-8-19(16-9-6-5-7-10-16)22-20(23)17-11-13-18(14-12-17)26(24,25)21-15-4-2/h4-7,9-14,19,21H,2-3,8,15H2,1H3,(H,22,23)
InChIKeyDCQBFHSIJWTJJB-UHFFFAOYSA-N
XLogP3.42
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(tert-butylsulfamoyl)-N-(1-phenylbutyl)benzamide
CID 24547890
4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-(1-phenylbutyl)benzamide
CID 24547843
4-fluoro-N-(1-phenylbutyl)benzamide
CID 60657146
N-[(2R)-pentan-2-yl]-3-(prop-2-enylsulfamoyl)benzamide
CID 30906636
4-(prop-2-enylsulfamoyl)benzoic acid
CID 2512621
(E)-2-[[4-(prop-2-enylsulfamoyl)benzoyl]amino]hex-4-enoic acid
CID 120693808
N-[2-(N-methylanilino)propyl]-4-(prop-2-enylsulfamoyl)benzamide
CID 55721364
N-(4-anilinophenyl)-4-(prop-2-enylsulfamoyl)benzamide
CID 18278951
N-(2,6-diethylphenyl)-4-(prop-2-enylsulfamoyl)benzamide
CID 109058553
N-(2-hydroxypropyl)-4-(prop-2-enylsulfamoyl)benzamide
CID 78856246
1-[2-[(4-methylphenyl)sulfonylamino]ethyl]-3-[(1R)-1-phenylbutyl]urea
CID 51936408
N-[(2R)-2-(ethylamino)propyl]-4-(prop-2-enylsulfamoyl)benzamide
CID 120653889

Frequently Asked Questions

What is the IUPAC name of N-(1-phenylbutyl)-4-(prop-2-enylsulfamoyl)benzamide?
The IUPAC name of N-(1-phenylbutyl)-4-(prop-2-enylsulfamoyl)benzamide (CID 24547891) is N-(1-phenylbutyl)-4-(prop-2-enylsulfamoyl)benzamide.
What is the SMILES notation for N-(1-phenylbutyl)-4-(prop-2-enylsulfamoyl)benzamide?
The canonical SMILES for N-(1-phenylbutyl)-4-(prop-2-enylsulfamoyl)benzamide is C=CCNS(=O)(=O)c1ccc(C(=O)NC(CCC)c2ccccc2)cc1.
What is the InChIKey of N-(1-phenylbutyl)-4-(prop-2-enylsulfamoyl)benzamide?
The InChIKey is DCQBFHSIJWTJJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3S/c1-3-8-19(16-9-6-5-7-10-16)22-20(23)17-11-13-18(14-12-17)26(24,25)21-15-4-2/h4-7,9-14,19,21H,2-3,8,15H2,1H3,(H,22,23).
What are the key properties of N-(1-phenylbutyl)-4-(prop-2-enylsulfamoyl)benzamide?
N-(1-phenylbutyl)-4-(prop-2-enylsulfamoyl)benzamide has a molecular weight of 372.49 g/mol, XLogP of 3.42, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-phenylbutyl)-4-(prop-2-enylsulfamoyl)benzamide is sourced from PubChem (CID 24547891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).