2-[(4-methylphenyl)methyl-(4-methylphenyl)sulfonylamino]-N-prop-2-enylacetamide

C20H24N2O3S — CID 2284883

IUPAC2-[(4-methylphenyl)methyl-(4-methylphenyl)sulfonylamino]-N-prop-2-enylacetamide
SMILESC=CCNC(=O)CN(Cc1ccc(C)cc1)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C20H24N2O3S/c1-4-13-21-20(23)15-22(14-18-9-5-16(2)6-10-18)26(24,25)19-11-7-17(3)8-12-19/h4-12H,1,13-15H2,2-3H3,(H,21,23)
InChIKeyFNWPARIRHQPXTM-UHFFFAOYSA-N
MW372.49 g/mol
LogP2.80
Rot. Bonds8

About 2-[(4-methylphenyl)methyl-(4-methylphenyl)sulfonylamino]-N-prop-2-enylacetamide

2-[(4-methylphenyl)methyl-(4-methylphenyl)sulfonylamino]-N-prop-2-enylacetamide (PubChem CID 2284883) has the molecular formula C20H24N2O3S and a molecular weight of 372.49 g/mol. Its IUPAC name is 2-[(4-methylphenyl)methyl-(4-methylphenyl)sulfonylamino]-N-prop-2-enylacetamide.

Molecular Properties

Compound Name2-[(4-methylphenyl)methyl-(4-methylphenyl)sulfonylamino]-N-prop-2-enylacetamide
PubChem CID2284883
Molecular FormulaC20H24N2O3S
Molecular Weight372.49 g/mol
Exact Mass372.15
IUPAC Name2-[(4-methylphenyl)methyl-(4-methylphenyl)sulfonylamino]-N-prop-2-enylacetamide
SMILESC=CCNC(=O)CN(Cc1ccc(C)cc1)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C20H24N2O3S/c1-4-13-21-20(23)15-22(14-18-9-5-16(2)6-10-18)26(24,25)19-11-7-17(3)8-12-19/h4-12H,1,13-15H2,2-3H3,(H,21,23)
InChIKeyFNWPARIRHQPXTM-UHFFFAOYSA-N
XLogP2.80
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-hydroxyethyl)-2-[(4-methylphenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 126012468
2-[benzenesulfonyl-[(4-bromophenyl)methyl]amino]-N-prop-2-enylacetamide
CID 2264372
N-hydroxy-2-[(4-methylphenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 100984437
2-[(2,4-dichlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-prop-2-enylacetamide
CID 2301025
2-[(4-chlorophenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-prop-2-enylacetamide
CID 4105507
2-[benzyl-(2,5-dimethylphenyl)sulfonylamino]-N-prop-2-enylacetamide
CID 100781833
2-[(4-methylphenyl)methyl-(4-methylphenyl)sulfonylamino]acetate
CID 7317776
2-[(4-bromophenyl)sulfonyl-[(4-methylphenyl)methyl]amino]-N-[[4-(dimethylsulfamoyl)phenyl]methyl]acetamide
CID 43874567
N-[(2-chlorophenyl)methyl]-2-[(4-methylphenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 1320309
N-[(4-fluorophenyl)methyl]-N-(2-hydrazinyl-2-oxoethyl)-4-methylbenzenesulfonamide
CID 126072480
2-[benzyl-(4-methylphenyl)sulfonylamino]-N-butylacetamide
CID 126067032
2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-prop-2-enylacetamide
CID 2271965

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methylphenyl)methyl-(4-methylphenyl)sulfonylamino]-N-prop-2-enylacetamide?
The IUPAC name of 2-[(4-methylphenyl)methyl-(4-methylphenyl)sulfonylamino]-N-prop-2-enylacetamide (CID 2284883) is 2-[(4-methylphenyl)methyl-(4-methylphenyl)sulfonylamino]-N-prop-2-enylacetamide.
What is the SMILES notation for 2-[(4-methylphenyl)methyl-(4-methylphenyl)sulfonylamino]-N-prop-2-enylacetamide?
The canonical SMILES for 2-[(4-methylphenyl)methyl-(4-methylphenyl)sulfonylamino]-N-prop-2-enylacetamide is C=CCNC(=O)CN(Cc1ccc(C)cc1)S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of 2-[(4-methylphenyl)methyl-(4-methylphenyl)sulfonylamino]-N-prop-2-enylacetamide?
The InChIKey is FNWPARIRHQPXTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3S/c1-4-13-21-20(23)15-22(14-18-9-5-16(2)6-10-18)26(24,25)19-11-7-17(3)8-12-19/h4-12H,1,13-15H2,2-3H3,(H,21,23).
What are the key properties of 2-[(4-methylphenyl)methyl-(4-methylphenyl)sulfonylamino]-N-prop-2-enylacetamide?
2-[(4-methylphenyl)methyl-(4-methylphenyl)sulfonylamino]-N-prop-2-enylacetamide has a molecular weight of 372.49 g/mol, XLogP of 2.80, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methylphenyl)methyl-(4-methylphenyl)sulfonylamino]-N-prop-2-enylacetamide is sourced from PubChem (CID 2284883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).