2-[(4-methoxyphenyl)sulfonyl-prop-2-enylamino]-N-(3-methylphenyl)acetamide

C19H22N2O4S — CID 32510384

IUPAC2-[(4-methoxyphenyl)sulfonyl-prop-2-enylamino]-N-(3-methylphenyl)acetamide
SMILESC=CCN(CC(=O)Nc1cccc(C)c1)S(=O)(=O)c1ccc(OC)cc1
InChIInChI=1S/C19H22N2O4S/c1-4-12-21(14-19(22)20-16-7-5-6-15(2)13-16)26(23,24)18-10-8-17(25-3)9-11-18/h4-11,13H,1,12,14H2,2-3H3,(H,20,22)
InChIKeyWSBGWVHIGYTURY-UHFFFAOYSA-N
MW374.46 g/mol
LogP2.82
Rot. Bonds8

About 2-[(4-methoxyphenyl)sulfonyl-prop-2-enylamino]-N-(3-methylphenyl)acetamide

2-[(4-methoxyphenyl)sulfonyl-prop-2-enylamino]-N-(3-methylphenyl)acetamide (PubChem CID 32510384) has the molecular formula C19H22N2O4S and a molecular weight of 374.46 g/mol. Its IUPAC name is 2-[(4-methoxyphenyl)sulfonyl-prop-2-enylamino]-N-(3-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[(4-methoxyphenyl)sulfonyl-prop-2-enylamino]-N-(3-methylphenyl)acetamide
PubChem CID32510384
Molecular FormulaC19H22N2O4S
Molecular Weight374.46 g/mol
Exact Mass374.13
IUPAC Name2-[(4-methoxyphenyl)sulfonyl-prop-2-enylamino]-N-(3-methylphenyl)acetamide
SMILESC=CCN(CC(=O)Nc1cccc(C)c1)S(=O)(=O)c1ccc(OC)cc1
InChIInChI=1S/C19H22N2O4S/c1-4-12-21(14-19(22)20-16-7-5-6-15(2)13-16)26(23,24)18-10-8-17(25-3)9-11-18/h4-11,13H,1,12,14H2,2-3H3,(H,20,22)
InChIKeyWSBGWVHIGYTURY-UHFFFAOYSA-N
XLogP2.82
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 ≤ 52.82
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

N-(4-ethoxyphenyl)-2-[(4-methoxyphenyl)sulfonyl-prop-2-enylamino]acetamide
CID 32510592
4-[[2-[(4-methoxyphenyl)sulfonyl-prop-2-enylamino]acetyl]amino]-N,N-dimethylbenzamide
CID 55503201
N-(2-chlorophenyl)-2-[(4-methoxyphenyl)sulfonyl-prop-2-enylamino]acetamide
CID 55327618
N-(3-bromophenyl)-2-[ethyl-(4-methoxyphenyl)sulfonylamino]acetamide
CID 3510493
N-(4-methoxyphenyl)-2-[(3-methylphenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 126070178
N-benzyl-2-[(4-methoxyphenyl)sulfonyl-prop-2-enylamino]acetamide
CID 17418244
N-(3,4-dimethoxyphenyl)-2-[(3,4-dimethylphenyl)sulfonyl-prop-2-enylamino]acetamide
CID 4788074
2-[(4-chlorophenyl)sulfonyl-prop-2-enylamino]-N-[3-(dimethylsulfamoyl)phenyl]acetamide
CID 24661139
2-[(4-methoxyphenyl)sulfonyl-prop-2-enylamino]-N-(2-methylpropyl)acetamide
CID 32510686
2-[ethyl-(4-fluorophenyl)sulfonylamino]-N-(3-methylphenyl)acetamide
CID 45372341
2-[(4-acetylphenyl)sulfonyl-prop-2-enylamino]-N-phenylacetamide
CID 17443852
N-(3-bromophenyl)-2-[(4-methoxyphenyl)sulfonyl-(2-phenylethyl)amino]acetamide
CID 1360277

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxyphenyl)sulfonyl-prop-2-enylamino]-N-(3-methylphenyl)acetamide?
The IUPAC name of 2-[(4-methoxyphenyl)sulfonyl-prop-2-enylamino]-N-(3-methylphenyl)acetamide (CID 32510384) is 2-[(4-methoxyphenyl)sulfonyl-prop-2-enylamino]-N-(3-methylphenyl)acetamide.
What is the SMILES notation for 2-[(4-methoxyphenyl)sulfonyl-prop-2-enylamino]-N-(3-methylphenyl)acetamide?
The canonical SMILES for 2-[(4-methoxyphenyl)sulfonyl-prop-2-enylamino]-N-(3-methylphenyl)acetamide is C=CCN(CC(=O)Nc1cccc(C)c1)S(=O)(=O)c1ccc(OC)cc1.
What is the InChIKey of 2-[(4-methoxyphenyl)sulfonyl-prop-2-enylamino]-N-(3-methylphenyl)acetamide?
The InChIKey is WSBGWVHIGYTURY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4S/c1-4-12-21(14-19(22)20-16-7-5-6-15(2)13-16)26(23,24)18-10-8-17(25-3)9-11-18/h4-11,13H,1,12,14H2,2-3H3,(H,20,22).
What are the key properties of 2-[(4-methoxyphenyl)sulfonyl-prop-2-enylamino]-N-(3-methylphenyl)acetamide?
2-[(4-methoxyphenyl)sulfonyl-prop-2-enylamino]-N-(3-methylphenyl)acetamide has a molecular weight of 374.46 g/mol, XLogP of 2.82, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxyphenyl)sulfonyl-prop-2-enylamino]-N-(3-methylphenyl)acetamide is sourced from PubChem (CID 32510384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).