3-[(3-methyl-1-phenylbutyl)sulfamoyl]-N-prop-2-enylbenzamide

C21H26N2O3S — CID 55871543

IUPAC3-[(3-methyl-1-phenylbutyl)sulfamoyl]-N-prop-2-enylbenzamide
SMILESC=CCNC(=O)c1cccc(S(=O)(=O)NC(CC(C)C)c2ccccc2)c1
InChIInChI=1S/C21H26N2O3S/c1-4-13-22-21(24)18-11-8-12-19(15-18)27(25,26)23-20(14-16(2)3)17-9-6-5-7-10-17/h4-12,15-16,20,23H,1,13-14H2,2-3H3,(H,22,24)
InChIKeyUNMZRZJICQWSHY-UHFFFAOYSA-N
MW386.52 g/mol
LogP3.67
Rot. Bonds9

About 3-[(3-methyl-1-phenylbutyl)sulfamoyl]-N-prop-2-enylbenzamide

3-[(3-methyl-1-phenylbutyl)sulfamoyl]-N-prop-2-enylbenzamide (PubChem CID 55871543) has the molecular formula C21H26N2O3S and a molecular weight of 386.52 g/mol. Its IUPAC name is 3-[(3-methyl-1-phenylbutyl)sulfamoyl]-N-prop-2-enylbenzamide.

Molecular Properties

Compound Name3-[(3-methyl-1-phenylbutyl)sulfamoyl]-N-prop-2-enylbenzamide
PubChem CID55871543
Molecular FormulaC21H26N2O3S
Molecular Weight386.52 g/mol
Exact Mass386.17
IUPAC Name3-[(3-methyl-1-phenylbutyl)sulfamoyl]-N-prop-2-enylbenzamide
SMILESC=CCNC(=O)c1cccc(S(=O)(=O)NC(CC(C)C)c2ccccc2)c1
InChIInChI=1S/C21H26N2O3S/c1-4-13-22-21(24)18-11-8-12-19(15-18)27(25,26)23-20(14-16(2)3)17-9-6-5-7-10-17/h4-12,15-16,20,23H,1,13-14H2,2-3H3,(H,22,24)
InChIKeyUNMZRZJICQWSHY-UHFFFAOYSA-N
XLogP3.67
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.52
LogP ≤ 53.67
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

3-[[(2S)-1-(dimethylamino)-1-oxobutan-2-yl]sulfamoyl]-N-prop-2-enylbenzamide
CID 97268880
3-[(2,6-dimethylphenyl)sulfamoyl]-N-prop-2-enylbenzamide
CID 109062454
3-(cyclopropylsulfamoyl)-N-(3-methyl-1-phenylbutyl)benzamide
CID 46570374
N-(3-methyl-1-phenylbutyl)-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 132670888
3-[(2-ethoxyphenyl)sulfamoyl]-N-prop-2-enylbenzamide
CID 109062466
N-[2-(methylamino)ethyl]-3-(1-phenylethylsulfamoyl)benzamide;hydrochloride
CID 119501867
N-[3-(dimethylamino)propyl]-3-(1-phenylethylsulfamoyl)benzamide
CID 109064219
3-[[2-(dimethylamino)-1-phenylethyl]sulfamoyl]-N,N-dimethylbenzamide
CID 87024649
3-[(2-methoxyphenyl)methylsulfamoyl]-N-prop-2-enylbenzamide
CID 94633826
3-[[2-methyl-2-(2-methylphenyl)propyl]sulfamoyl]-N-prop-2-enylbenzamide
CID 86879597
3-(4-methylpentan-2-ylsulfamoyl)benzoic acid
CID 43372085
N-[(2R)-2-(ethylamino)propyl]-3-(1-phenylethylsulfamoyl)benzamide
CID 120655257

Frequently Asked Questions

What is the IUPAC name of 3-[(3-methyl-1-phenylbutyl)sulfamoyl]-N-prop-2-enylbenzamide?
The IUPAC name of 3-[(3-methyl-1-phenylbutyl)sulfamoyl]-N-prop-2-enylbenzamide (CID 55871543) is 3-[(3-methyl-1-phenylbutyl)sulfamoyl]-N-prop-2-enylbenzamide.
What is the SMILES notation for 3-[(3-methyl-1-phenylbutyl)sulfamoyl]-N-prop-2-enylbenzamide?
The canonical SMILES for 3-[(3-methyl-1-phenylbutyl)sulfamoyl]-N-prop-2-enylbenzamide is C=CCNC(=O)c1cccc(S(=O)(=O)NC(CC(C)C)c2ccccc2)c1.
What is the InChIKey of 3-[(3-methyl-1-phenylbutyl)sulfamoyl]-N-prop-2-enylbenzamide?
The InChIKey is UNMZRZJICQWSHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3S/c1-4-13-22-21(24)18-11-8-12-19(15-18)27(25,26)23-20(14-16(2)3)17-9-6-5-7-10-17/h4-12,15-16,20,23H,1,13-14H2,2-3H3,(H,22,24).
What are the key properties of 3-[(3-methyl-1-phenylbutyl)sulfamoyl]-N-prop-2-enylbenzamide?
3-[(3-methyl-1-phenylbutyl)sulfamoyl]-N-prop-2-enylbenzamide has a molecular weight of 386.52 g/mol, XLogP of 3.67, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-methyl-1-phenylbutyl)sulfamoyl]-N-prop-2-enylbenzamide is sourced from PubChem (CID 55871543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).