2-[(4-acetylphenyl)sulfonyl-prop-2-enylamino]-N-phenylacetamide

C19H20N2O4S — CID 17443852

IUPAC2-[(4-acetylphenyl)sulfonyl-prop-2-enylamino]-N-phenylacetamide
SMILESC=CCN(CC(=O)Nc1ccccc1)S(=O)(=O)c1ccc(C(C)=O)cc1
InChIInChI=1S/C19H20N2O4S/c1-3-13-21(14-19(23)20-17-7-5-4-6-8-17)26(24,25)18-11-9-16(10-12-18)15(2)22/h3-12H,1,13-14H2,2H3,(H,20,23)
InChIKeyRUTAXHUROCTGJJ-UHFFFAOYSA-N
MW372.45 g/mol
LogP2.70
Rot. Bonds8

About 2-[(4-acetylphenyl)sulfonyl-prop-2-enylamino]-N-phenylacetamide

2-[(4-acetylphenyl)sulfonyl-prop-2-enylamino]-N-phenylacetamide (PubChem CID 17443852) has the molecular formula C19H20N2O4S and a molecular weight of 372.45 g/mol. Its IUPAC name is 2-[(4-acetylphenyl)sulfonyl-prop-2-enylamino]-N-phenylacetamide.

Molecular Properties

Compound Name2-[(4-acetylphenyl)sulfonyl-prop-2-enylamino]-N-phenylacetamide
PubChem CID17443852
Molecular FormulaC19H20N2O4S
Molecular Weight372.45 g/mol
Exact Mass372.11
IUPAC Name2-[(4-acetylphenyl)sulfonyl-prop-2-enylamino]-N-phenylacetamide
SMILESC=CCN(CC(=O)Nc1ccccc1)S(=O)(=O)c1ccc(C(C)=O)cc1
InChIInChI=1S/C19H20N2O4S/c1-3-13-21(14-19(23)20-17-7-5-4-6-8-17)26(24,25)18-11-9-16(10-12-18)15(2)22/h3-12H,1,13-14H2,2H3,(H,20,23)
InChIKeyRUTAXHUROCTGJJ-UHFFFAOYSA-N
XLogP2.70
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.45
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(4-acetylphenyl)sulfonyl-prop-2-enylamino]-N-(4-bromophenyl)acetamide
CID 17433895
2-[(4-acetylphenyl)sulfonyl-prop-2-enylamino]-N-(4-chloro-2-fluorophenyl)acetamide
CID 2476440
4-[[2-[(4-methoxyphenyl)sulfonyl-prop-2-enylamino]acetyl]amino]-N,N-dimethylbenzamide
CID 55503201
N-[4-[benzyl(prop-2-enyl)sulfamoyl]phenyl]acetamide
CID 7919284
2-[(4-chlorophenyl)sulfonyl-prop-2-enylamino]-N-[3-(dimethylsulfamoyl)phenyl]acetamide
CID 24661139
2-[(4-methoxyphenyl)sulfonyl-prop-2-enylamino]-N-(3-methylphenyl)acetamide
CID 32510384
N-(4-ethoxyphenyl)-2-[(4-methoxyphenyl)sulfonyl-prop-2-enylamino]acetamide
CID 32510592
N-(4-acetylphenyl)-2-[acetyl(prop-2-enyl)amino]acetamide
CID 113158573
N,N'-bis[4-[bis(prop-2-enyl)sulfamoyl]phenyl]nonanediamide
CID 4924122
4-[bis(prop-2-enyl)sulfamoyl]benzoic acid
CID 2049576
2-[(4-methylphenyl)sulfonyl-prop-2-enylamino]-N-[(1R)-1-phenylethyl]acetamide
CID 2482590
N-(2-chlorophenyl)-2-[(4-methoxyphenyl)sulfonyl-prop-2-enylamino]acetamide
CID 55327618

Frequently Asked Questions

What is the IUPAC name of 2-[(4-acetylphenyl)sulfonyl-prop-2-enylamino]-N-phenylacetamide?
The IUPAC name of 2-[(4-acetylphenyl)sulfonyl-prop-2-enylamino]-N-phenylacetamide (CID 17443852) is 2-[(4-acetylphenyl)sulfonyl-prop-2-enylamino]-N-phenylacetamide.
What is the SMILES notation for 2-[(4-acetylphenyl)sulfonyl-prop-2-enylamino]-N-phenylacetamide?
The canonical SMILES for 2-[(4-acetylphenyl)sulfonyl-prop-2-enylamino]-N-phenylacetamide is C=CCN(CC(=O)Nc1ccccc1)S(=O)(=O)c1ccc(C(C)=O)cc1.
What is the InChIKey of 2-[(4-acetylphenyl)sulfonyl-prop-2-enylamino]-N-phenylacetamide?
The InChIKey is RUTAXHUROCTGJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4S/c1-3-13-21(14-19(23)20-17-7-5-4-6-8-17)26(24,25)18-11-9-16(10-12-18)15(2)22/h3-12H,1,13-14H2,2H3,(H,20,23).
What are the key properties of 2-[(4-acetylphenyl)sulfonyl-prop-2-enylamino]-N-phenylacetamide?
2-[(4-acetylphenyl)sulfonyl-prop-2-enylamino]-N-phenylacetamide has a molecular weight of 372.45 g/mol, XLogP of 2.70, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-acetylphenyl)sulfonyl-prop-2-enylamino]-N-phenylacetamide is sourced from PubChem (CID 17443852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).