2-[N-(benzenesulfonyl)-3-methoxyanilino]-N-prop-2-enylacetamide

C18H20N2O4S — CID 2274017

IUPAC2-[N-(benzenesulfonyl)-3-methoxyanilino]-N-prop-2-enylacetamide
SMILESC=CCNC(=O)CN(c1cccc(OC)c1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C18H20N2O4S/c1-3-12-19-18(21)14-20(15-8-7-9-16(13-15)24-2)25(22,23)17-10-5-4-6-11-17/h3-11,13H,1,12,14H2,2H3,(H,19,21)
InChIKeyDSCGAVOUVXVEGZ-UHFFFAOYSA-N
MW360.44 g/mol
LogP2.19
Rot. Bonds8

About 2-[N-(benzenesulfonyl)-3-methoxyanilino]-N-prop-2-enylacetamide

2-[N-(benzenesulfonyl)-3-methoxyanilino]-N-prop-2-enylacetamide (PubChem CID 2274017) has the molecular formula C18H20N2O4S and a molecular weight of 360.44 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-3-methoxyanilino]-N-prop-2-enylacetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)-3-methoxyanilino]-N-prop-2-enylacetamide
PubChem CID2274017
Molecular FormulaC18H20N2O4S
Molecular Weight360.44 g/mol
Exact Mass360.11
IUPAC Name2-[N-(benzenesulfonyl)-3-methoxyanilino]-N-prop-2-enylacetamide
SMILESC=CCNC(=O)CN(c1cccc(OC)c1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C18H20N2O4S/c1-3-12-19-18(21)14-20(15-8-7-9-16(13-15)24-2)25(22,23)17-10-5-4-6-11-17/h3-11,13H,1,12,14H2,2H3,(H,19,21)
InChIKeyDSCGAVOUVXVEGZ-UHFFFAOYSA-N
XLogP2.19
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.44
LogP ≤ 52.19
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-[N-(benzenesulfonyl)-3-methoxyanilino]-N-ethylacetamide
CID 3139093
2-[N-(benzenesulfonyl)-3-methoxyanilino]-N-(2-phenylpropyl)acetamide
CID 133244625
2-[N-(benzenesulfonyl)-3-methoxyanilino]-N-[[4-(dimethylamino)phenyl]methyl]acetamide
CID 53279043
2-[N-(benzenesulfonyl)-3-methoxyanilino]-N-(1-phenylethyl)acetamide
CID 3139129
3-(3-methoxy-N-methylsulfonylanilino)-N-prop-2-enylpropanamide
CID 113144562
2-[N-(benzenesulfonyl)-3-methoxyanilino]-N-(3,5-dimethylphenyl)acetamide
CID 998295
2-(N-(4-methoxyphenyl)sulfonyl-4-methylanilino)-N-prop-2-enylacetamide
CID 2286489
2-[N-(benzenesulfonyl)-3-methoxyanilino]-N-(3-bromophenyl)acetamide
CID 1204014
2-[N-(benzenesulfonyl)-3-methoxyanilino]-N-(3-cyclohexylsulfanylpropyl)acetamide
CID 30202134
2-[N-(benzenesulfonyl)-3-methoxyanilino]-N-[(1R)-1-(4-methylphenyl)ethyl]acetamide
CID 92682371
2-[N-(benzenesulfonyl)-3-methoxyanilino]-N-[(4-methylphenyl)-phenylmethyl]acetamide
CID 43885385
2-[N-(benzenesulfonyl)-3-methoxyanilino]-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]acetamide
CID 30202029

Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-3-methoxyanilino]-N-prop-2-enylacetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)-3-methoxyanilino]-N-prop-2-enylacetamide (CID 2274017) is 2-[N-(benzenesulfonyl)-3-methoxyanilino]-N-prop-2-enylacetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)-3-methoxyanilino]-N-prop-2-enylacetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)-3-methoxyanilino]-N-prop-2-enylacetamide is C=CCNC(=O)CN(c1cccc(OC)c1)S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-[N-(benzenesulfonyl)-3-methoxyanilino]-N-prop-2-enylacetamide?
The InChIKey is DSCGAVOUVXVEGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4S/c1-3-12-19-18(21)14-20(15-8-7-9-16(13-15)24-2)25(22,23)17-10-5-4-6-11-17/h3-11,13H,1,12,14H2,2H3,(H,19,21).
What are the key properties of 2-[N-(benzenesulfonyl)-3-methoxyanilino]-N-prop-2-enylacetamide?
2-[N-(benzenesulfonyl)-3-methoxyanilino]-N-prop-2-enylacetamide has a molecular weight of 360.44 g/mol, XLogP of 2.19, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(benzenesulfonyl)-3-methoxyanilino]-N-prop-2-enylacetamide is sourced from PubChem (CID 2274017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).