2-[(4-acetylphenyl)sulfonyl-methylamino]-N-phenyl-N-prop-2-enylacetamide

C20H22N2O4S — CID 55551169

IUPAC2-[(4-acetylphenyl)sulfonyl-methylamino]-N-phenyl-N-prop-2-enylacetamide
SMILESC=CCN(C(=O)CN(C)S(=O)(=O)c1ccc(C(C)=O)cc1)c1ccccc1
InChIInChI=1S/C20H22N2O4S/c1-4-14-22(18-8-6-5-7-9-18)20(24)15-21(3)27(25,26)19-12-10-17(11-13-19)16(2)23/h4-13H,1,14-15H2,2-3H3
InChIKeyFCJRMZAAGZHVPP-UHFFFAOYSA-N
MW386.47 g/mol
LogP2.73
Rot. Bonds8

About 2-[(4-acetylphenyl)sulfonyl-methylamino]-N-phenyl-N-prop-2-enylacetamide

2-[(4-acetylphenyl)sulfonyl-methylamino]-N-phenyl-N-prop-2-enylacetamide (PubChem CID 55551169) has the molecular formula C20H22N2O4S and a molecular weight of 386.47 g/mol. Its IUPAC name is 2-[(4-acetylphenyl)sulfonyl-methylamino]-N-phenyl-N-prop-2-enylacetamide.

Molecular Properties

Compound Name2-[(4-acetylphenyl)sulfonyl-methylamino]-N-phenyl-N-prop-2-enylacetamide
PubChem CID55551169
Molecular FormulaC20H22N2O4S
Molecular Weight386.47 g/mol
Exact Mass386.13
IUPAC Name2-[(4-acetylphenyl)sulfonyl-methylamino]-N-phenyl-N-prop-2-enylacetamide
SMILESC=CCN(C(=O)CN(C)S(=O)(=O)c1ccc(C(C)=O)cc1)c1ccccc1
InChIInChI=1S/C20H22N2O4S/c1-4-14-22(18-8-6-5-7-9-18)20(24)15-21(3)27(25,26)19-12-10-17(11-13-19)16(2)23/h4-13H,1,14-15H2,2-3H3
InChIKeyFCJRMZAAGZHVPP-UHFFFAOYSA-N
XLogP2.73
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.47
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-acetyl-N-methyl-N-(2-methylprop-2-enyl)benzenesulfonamide
CID 115776811
ethyl 2-[(4-acetylphenyl)sulfonyl-methylamino]acetate
CID 60731070
methyl 2-[(4-acetylphenyl)sulfonyl-methylamino]acetate
CID 3685152
2-[(4-acetylphenyl)sulfonyl-prop-2-enylamino]-N-phenylacetamide
CID 17443852
4-[methyl(phenyl)sulfamoyl]-N,N-bis(prop-2-enyl)benzamide
CID 78784352
2-phenylethyl 2-[(4-acetylphenyl)sulfonyl-methylamino]acetate
CID 55539189
4-acetyl-N-methyl-N-[4-(2-methyl-2-phenylhydrazinyl)-4-oxobutyl]benzenesulfonamide
CID 18121131
4-[[2-(dimethylamino)-2-oxoethyl]-methylsulfamoyl]benzoic acid
CID 43215458
2-[(4-acetylphenyl)sulfonyl-methylamino]-N-methyl-N-(4-methylpentan-2-yl)acetamide
CID 55584143
N-(furan-2-ylmethyl)-2-[methyl-(4-methylphenyl)sulfonylamino]-N-phenylacetamide
CID 18100578
2-[methyl-(4-phenylphenyl)sulfonylamino]acetic acid
CID 90148129
(4-methoxyphenyl) 2-[(4-acetylphenyl)sulfonyl-methylamino]acetate
CID 24650561

Frequently Asked Questions

What is the IUPAC name of 2-[(4-acetylphenyl)sulfonyl-methylamino]-N-phenyl-N-prop-2-enylacetamide?
The IUPAC name of 2-[(4-acetylphenyl)sulfonyl-methylamino]-N-phenyl-N-prop-2-enylacetamide (CID 55551169) is 2-[(4-acetylphenyl)sulfonyl-methylamino]-N-phenyl-N-prop-2-enylacetamide.
What is the SMILES notation for 2-[(4-acetylphenyl)sulfonyl-methylamino]-N-phenyl-N-prop-2-enylacetamide?
The canonical SMILES for 2-[(4-acetylphenyl)sulfonyl-methylamino]-N-phenyl-N-prop-2-enylacetamide is C=CCN(C(=O)CN(C)S(=O)(=O)c1ccc(C(C)=O)cc1)c1ccccc1.
What is the InChIKey of 2-[(4-acetylphenyl)sulfonyl-methylamino]-N-phenyl-N-prop-2-enylacetamide?
The InChIKey is FCJRMZAAGZHVPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O4S/c1-4-14-22(18-8-6-5-7-9-18)20(24)15-21(3)27(25,26)19-12-10-17(11-13-19)16(2)23/h4-13H,1,14-15H2,2-3H3.
What are the key properties of 2-[(4-acetylphenyl)sulfonyl-methylamino]-N-phenyl-N-prop-2-enylacetamide?
2-[(4-acetylphenyl)sulfonyl-methylamino]-N-phenyl-N-prop-2-enylacetamide has a molecular weight of 386.47 g/mol, XLogP of 2.73, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-acetylphenyl)sulfonyl-methylamino]-N-phenyl-N-prop-2-enylacetamide is sourced from PubChem (CID 55551169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).