2-[benzyl-(2,5-dimethylphenyl)sulfonylamino]-N-prop-2-enylacetamide

C20H24N2O3S — CID 100781833

IUPAC2-[benzyl-(2,5-dimethylphenyl)sulfonylamino]-N-prop-2-enylacetamide
SMILESC=CCNC(=O)CN(Cc1ccccc1)S(=O)(=O)c1cc(C)ccc1C
InChIInChI=1S/C20H24N2O3S/c1-4-12-21-20(23)15-22(14-18-8-6-5-7-9-18)26(24,25)19-13-16(2)10-11-17(19)3/h4-11,13H,1,12,14-15H2,2-3H3,(H,21,23)
InChIKeyGSRXEIMBYCHLIL-UHFFFAOYSA-N
MW372.49 g/mol
LogP2.80
Rot. Bonds8

About 2-[benzyl-(2,5-dimethylphenyl)sulfonylamino]-N-prop-2-enylacetamide

2-[benzyl-(2,5-dimethylphenyl)sulfonylamino]-N-prop-2-enylacetamide (PubChem CID 100781833) has the molecular formula C20H24N2O3S and a molecular weight of 372.49 g/mol. Its IUPAC name is 2-[benzyl-(2,5-dimethylphenyl)sulfonylamino]-N-prop-2-enylacetamide.

Molecular Properties

Compound Name2-[benzyl-(2,5-dimethylphenyl)sulfonylamino]-N-prop-2-enylacetamide
PubChem CID100781833
Molecular FormulaC20H24N2O3S
Molecular Weight372.49 g/mol
Exact Mass372.15
IUPAC Name2-[benzyl-(2,5-dimethylphenyl)sulfonylamino]-N-prop-2-enylacetamide
SMILESC=CCNC(=O)CN(Cc1ccccc1)S(=O)(=O)c1cc(C)ccc1C
InChIInChI=1S/C20H24N2O3S/c1-4-12-21-20(23)15-22(14-18-8-6-5-7-9-18)26(24,25)19-13-16(2)10-11-17(19)3/h4-11,13H,1,12,14-15H2,2-3H3,(H,21,23)
InChIKeyGSRXEIMBYCHLIL-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

2-[(4-methylphenyl)methyl-(4-methylphenyl)sulfonylamino]-N-prop-2-enylacetamide
CID 2284883
2-[(2,5-dimethylphenyl)sulfonyl-(2-phenylethyl)amino]-N-ethylacetamide
CID 100782288
2-[benzyl-(2,5-dimethylphenyl)sulfonylamino]-N-[2-(1H-1,2,4-triazol-5-ylsulfanyl)ethyl]acetamide
CID 100781708
2-[benzyl-(2,5-dimethylphenyl)sulfonylamino]-N-(2-methoxy-5-methylphenyl)acetamide
CID 100781983
2-[(4-chlorophenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-prop-2-enylacetamide
CID 4105507
N-(3-aminopropyl)-N-benzyl-2,5-dimethylbenzenesulfonamide
CID 120664269
N-[2-(cyclohexen-1-yl)ethyl]-2-[(2,5-dimethylphenyl)sulfonyl-(2-phenylethyl)amino]acetamide
CID 100782324
2-[benzyl-(2-methoxy-5-methylphenyl)sulfonylamino]-N-(3-hydroxypropyl)acetamide
CID 3979664
2-[benzenesulfonyl-[(4-bromophenyl)methyl]amino]-N-prop-2-enylacetamide
CID 2264372
N,N-dibenzyl-2-[(2,5-dimethylphenyl)sulfonyl-(2-phenylethyl)amino]acetamide
CID 100782528
2-[benzyl-(2-methoxy-5-methylphenyl)sulfonylamino]-N-(4-methylphenyl)acetamide
CID 3898762
N-(3,4-dimethylphenyl)-2-[(2,5-dimethylphenyl)sulfonyl-(2-phenylethyl)amino]acetamide
CID 100782385

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl-(2,5-dimethylphenyl)sulfonylamino]-N-prop-2-enylacetamide?
The IUPAC name of 2-[benzyl-(2,5-dimethylphenyl)sulfonylamino]-N-prop-2-enylacetamide (CID 100781833) is 2-[benzyl-(2,5-dimethylphenyl)sulfonylamino]-N-prop-2-enylacetamide.
What is the SMILES notation for 2-[benzyl-(2,5-dimethylphenyl)sulfonylamino]-N-prop-2-enylacetamide?
The canonical SMILES for 2-[benzyl-(2,5-dimethylphenyl)sulfonylamino]-N-prop-2-enylacetamide is C=CCNC(=O)CN(Cc1ccccc1)S(=O)(=O)c1cc(C)ccc1C.
What is the InChIKey of 2-[benzyl-(2,5-dimethylphenyl)sulfonylamino]-N-prop-2-enylacetamide?
The InChIKey is GSRXEIMBYCHLIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3S/c1-4-12-21-20(23)15-22(14-18-8-6-5-7-9-18)26(24,25)19-13-16(2)10-11-17(19)3/h4-11,13H,1,12,14-15H2,2-3H3,(H,21,23).
What are the key properties of 2-[benzyl-(2,5-dimethylphenyl)sulfonylamino]-N-prop-2-enylacetamide?
2-[benzyl-(2,5-dimethylphenyl)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-[benzyl-(2,5-dimethylphenyl)sulfonylamino]-N-prop-2-enylacetamide is sourced from PubChem (CID 100781833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).