2-(N-(4-methoxyphenyl)sulfonyl-4-methylanilino)-N-prop-2-enylacetamide

C19H22N2O4S — CID 2286489

IUPAC2-(N-(4-methoxyphenyl)sulfonyl-4-methylanilino)-N-prop-2-enylacetamide
SMILESC=CCNC(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(OC)cc1
InChIInChI=1S/C19H22N2O4S/c1-4-13-20-19(22)14-21(16-7-5-15(2)6-8-16)26(23,24)18-11-9-17(25-3)10-12-18/h4-12H,1,13-14H2,2-3H3,(H,20,22)
InChIKeyAWEKDWTWRQZLNR-UHFFFAOYSA-N
MW374.46 g/mol
LogP2.50
Rot. Bonds8

About 2-(N-(4-methoxyphenyl)sulfonyl-4-methylanilino)-N-prop-2-enylacetamide

2-(N-(4-methoxyphenyl)sulfonyl-4-methylanilino)-N-prop-2-enylacetamide (PubChem CID 2286489) has the molecular formula C19H22N2O4S and a molecular weight of 374.46 g/mol. Its IUPAC name is 2-(N-(4-methoxyphenyl)sulfonyl-4-methylanilino)-N-prop-2-enylacetamide.

Molecular Properties

Compound Name2-(N-(4-methoxyphenyl)sulfonyl-4-methylanilino)-N-prop-2-enylacetamide
PubChem CID2286489
Molecular FormulaC19H22N2O4S
Molecular Weight374.46 g/mol
Exact Mass374.13
IUPAC Name2-(N-(4-methoxyphenyl)sulfonyl-4-methylanilino)-N-prop-2-enylacetamide
SMILESC=CCNC(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(OC)cc1
InChIInChI=1S/C19H22N2O4S/c1-4-13-20-19(22)14-21(16-7-5-15(2)6-8-16)26(23,24)18-11-9-17(25-3)10-12-18/h4-12H,1,13-14H2,2-3H3,(H,20,22)
InChIKeyAWEKDWTWRQZLNR-UHFFFAOYSA-N
XLogP2.50
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.46
LogP ≤ 52.50
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-chloro-N-(4-methylphenyl)sulfonylanilino)-N-prop-2-enylacetamide
CID 2271136
2-(N-(4-methylphenyl)sulfonyl-4-propan-2-ylanilino)-N-prop-2-enylacetamide
CID 30170794
2-(4-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-[2-(4-methylphenoxy)ethyl]acetamide
CID 30214602
2-(N-(4-methoxyphenyl)sulfonyl-4-methylanilino)-N-[2-(4-methylphenyl)sulfanylethyl]acetamide
CID 2287556
2-[4-[ethyl-(4-methylphenyl)sulfonylamino]phenoxy]-N-prop-2-enylacetamide
CID 17247274
2-(N-(4-methoxyphenyl)sulfonyl-4-methylanilino)-N-[(2-methylphenyl)methyl]acetamide
CID 1324576
N-(4-fluorophenyl)-2-(4-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 2279426
4-[[2-(4-methoxy-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]-N,N-dimethylbenzamide
CID 24607001
3-(N-(2,4-dimethylphenyl)sulfonyl-4-methoxyanilino)-N-prop-2-enylpropanamide
CID 29435894
2-[N-(benzenesulfonyl)-3-methoxyanilino]-N-prop-2-enylacetamide
CID 2274017
N-[(2-fluorophenyl)methyl]-2-(N-(4-methoxyphenyl)sulfonyl-4-methylanilino)acetamide
CID 53280530
2-(4-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-(4-propan-2-ylphenyl)acetamide
CID 30171501

Frequently Asked Questions

What is the IUPAC name of 2-(N-(4-methoxyphenyl)sulfonyl-4-methylanilino)-N-prop-2-enylacetamide?
The IUPAC name of 2-(N-(4-methoxyphenyl)sulfonyl-4-methylanilino)-N-prop-2-enylacetamide (CID 2286489) is 2-(N-(4-methoxyphenyl)sulfonyl-4-methylanilino)-N-prop-2-enylacetamide.
What is the SMILES notation for 2-(N-(4-methoxyphenyl)sulfonyl-4-methylanilino)-N-prop-2-enylacetamide?
The canonical SMILES for 2-(N-(4-methoxyphenyl)sulfonyl-4-methylanilino)-N-prop-2-enylacetamide is C=CCNC(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(OC)cc1.
What is the InChIKey of 2-(N-(4-methoxyphenyl)sulfonyl-4-methylanilino)-N-prop-2-enylacetamide?
The InChIKey is AWEKDWTWRQZLNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4S/c1-4-13-20-19(22)14-21(16-7-5-15(2)6-8-16)26(23,24)18-11-9-17(25-3)10-12-18/h4-12H,1,13-14H2,2-3H3,(H,20,22).
What are the key properties of 2-(N-(4-methoxyphenyl)sulfonyl-4-methylanilino)-N-prop-2-enylacetamide?
2-(N-(4-methoxyphenyl)sulfonyl-4-methylanilino)-N-prop-2-enylacetamide has a molecular weight of 374.46 g/mol, XLogP of 2.50, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-(4-methoxyphenyl)sulfonyl-4-methylanilino)-N-prop-2-enylacetamide is sourced from PubChem (CID 2286489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).