2-[[4-[methyl(phenyl)sulfamoyl]benzoyl]amino]-N-prop-2-enylbenzamide

C24H23N3O4S — CID 55413423

IUPAC2-[[4-[methyl(phenyl)sulfamoyl]benzoyl]amino]-N-prop-2-enylbenzamide
SMILESC=CCNC(=O)c1ccccc1NC(=O)c1ccc(S(=O)(=O)N(C)c2ccccc2)cc1
InChIInChI=1S/C24H23N3O4S/c1-3-17-25-24(29)21-11-7-8-12-22(21)26-23(28)18-13-15-20(16-14-18)32(30,31)27(2)19-9-5-4-6-10-19/h3-16H,1,17H2,2H3,(H,25,29)(H,26,28)
InChIKeyBXZBCOSEVMPUMH-UHFFFAOYSA-N
MW449.53 g/mol
LogP3.68
Rot. Bonds8

About 2-[[4-[methyl(phenyl)sulfamoyl]benzoyl]amino]-N-prop-2-enylbenzamide

2-[[4-[methyl(phenyl)sulfamoyl]benzoyl]amino]-N-prop-2-enylbenzamide (PubChem CID 55413423) has the molecular formula C24H23N3O4S and a molecular weight of 449.53 g/mol. Its IUPAC name is 2-[[4-[methyl(phenyl)sulfamoyl]benzoyl]amino]-N-prop-2-enylbenzamide.

Molecular Properties

Compound Name2-[[4-[methyl(phenyl)sulfamoyl]benzoyl]amino]-N-prop-2-enylbenzamide
PubChem CID55413423
Molecular FormulaC24H23N3O4S
Molecular Weight449.53 g/mol
Exact Mass449.14
IUPAC Name2-[[4-[methyl(phenyl)sulfamoyl]benzoyl]amino]-N-prop-2-enylbenzamide
SMILESC=CCNC(=O)c1ccccc1NC(=O)c1ccc(S(=O)(=O)N(C)c2ccccc2)cc1
InChIInChI=1S/C24H23N3O4S/c1-3-17-25-24(29)21-11-7-8-12-22(21)26-23(28)18-13-15-20(16-14-18)32(30,31)27(2)19-9-5-4-6-10-19/h3-16H,1,17H2,2H3,(H,25,29)(H,26,28)
InChIKeyBXZBCOSEVMPUMH-UHFFFAOYSA-N
XLogP3.68
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.53
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[[4-[cyclohexyl(methyl)sulfamoyl]benzoyl]amino]-N-prop-2-enylbenzamide
CID 26706774
2-[[4-[benzenesulfonyl(methyl)amino]benzoyl]amino]-N-(2-methylpropyl)benzamide
CID 1317789
2-[[4-[benzenesulfonyl(methyl)amino]benzoyl]amino]benzoic acid
CID 1339367
N-(2-hydroxyphenyl)-4-[methyl(phenyl)sulfamoyl]benzamide
CID 18126261
N-(2-tert-butylphenyl)-4-[methyl(phenyl)sulfamoyl]benzamide
CID 7920184
2-[[4-[benzenesulfonyl(methyl)amino]benzoyl]amino]benzamide
CID 17201011
2-[[2-[N-(benzenesulfonyl)anilino]acetyl]amino]-N-prop-2-enylbenzamide
CID 126129090
2-[[4-[benzenesulfonyl(methyl)amino]benzoyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 1302890
N-(2-methoxyethyl)-2-[[4-[(4-methoxyphenyl)sulfonyl-methylamino]benzoyl]amino]benzamide
CID 2225095
2-[[4-[benzenesulfonyl(methyl)amino]benzoyl]amino]-N-butan-2-ylbenzamide
CID 2943385
N-(2-acetylphenyl)-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide
CID 26067652
4-[methyl-(4-methylsulfanylphenyl)sulfonylamino]-N-prop-2-enylbenzamide
CID 28591458

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[methyl(phenyl)sulfamoyl]benzoyl]amino]-N-prop-2-enylbenzamide?
The IUPAC name of 2-[[4-[methyl(phenyl)sulfamoyl]benzoyl]amino]-N-prop-2-enylbenzamide (CID 55413423) is 2-[[4-[methyl(phenyl)sulfamoyl]benzoyl]amino]-N-prop-2-enylbenzamide.
What is the SMILES notation for 2-[[4-[methyl(phenyl)sulfamoyl]benzoyl]amino]-N-prop-2-enylbenzamide?
The canonical SMILES for 2-[[4-[methyl(phenyl)sulfamoyl]benzoyl]amino]-N-prop-2-enylbenzamide is C=CCNC(=O)c1ccccc1NC(=O)c1ccc(S(=O)(=O)N(C)c2ccccc2)cc1.
What is the InChIKey of 2-[[4-[methyl(phenyl)sulfamoyl]benzoyl]amino]-N-prop-2-enylbenzamide?
The InChIKey is BXZBCOSEVMPUMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O4S/c1-3-17-25-24(29)21-11-7-8-12-22(21)26-23(28)18-13-15-20(16-14-18)32(30,31)27(2)19-9-5-4-6-10-19/h3-16H,1,17H2,2H3,(H,25,29)(H,26,28).
What are the key properties of 2-[[4-[methyl(phenyl)sulfamoyl]benzoyl]amino]-N-prop-2-enylbenzamide?
2-[[4-[methyl(phenyl)sulfamoyl]benzoyl]amino]-N-prop-2-enylbenzamide has a molecular weight of 449.53 g/mol, XLogP of 3.68, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[methyl(phenyl)sulfamoyl]benzoyl]amino]-N-prop-2-enylbenzamide is sourced from PubChem (CID 55413423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).