3-(N-(2,4-dimethylphenyl)sulfonyl-4-methoxyanilino)-N-prop-2-enylpropanamide

C21H26N2O4S — CID 29435894

IUPAC3-(N-(2,4-dimethylphenyl)sulfonyl-4-methoxyanilino)-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)CCN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)cc1C
InChIInChI=1S/C21H26N2O4S/c1-5-13-22-21(24)12-14-23(18-7-9-19(27-4)10-8-18)28(25,26)20-11-6-16(2)15-17(20)3/h5-11,15H,1,12-14H2,2-4H3,(H,22,24)
InChIKeyYZQOFFDYYBWGGM-UHFFFAOYSA-N
MW402.52 g/mol
LogP3.20
Rot. Bonds9

About 3-(N-(2,4-dimethylphenyl)sulfonyl-4-methoxyanilino)-N-prop-2-enylpropanamide

3-(N-(2,4-dimethylphenyl)sulfonyl-4-methoxyanilino)-N-prop-2-enylpropanamide (PubChem CID 29435894) has the molecular formula C21H26N2O4S and a molecular weight of 402.52 g/mol. Its IUPAC name is 3-(N-(2,4-dimethylphenyl)sulfonyl-4-methoxyanilino)-N-prop-2-enylpropanamide.

Molecular Properties

Compound Name3-(N-(2,4-dimethylphenyl)sulfonyl-4-methoxyanilino)-N-prop-2-enylpropanamide
PubChem CID29435894
Molecular FormulaC21H26N2O4S
Molecular Weight402.52 g/mol
Exact Mass402.16
IUPAC Name3-(N-(2,4-dimethylphenyl)sulfonyl-4-methoxyanilino)-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)CCN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)cc1C
InChIInChI=1S/C21H26N2O4S/c1-5-13-22-21(24)12-14-23(18-7-9-19(27-4)10-8-18)28(25,26)20-11-6-16(2)15-17(20)3/h5-11,15H,1,12-14H2,2-4H3,(H,22,24)
InChIKeyYZQOFFDYYBWGGM-UHFFFAOYSA-N
XLogP3.20
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.52
LogP ≤ 53.20
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

3-(N-(2,4-dimethylphenyl)sulfonyl-4-methoxyanilino)-N-(furan-2-ylmethyl)propanamide
CID 34238896
2-(N-(4-methoxyphenyl)sulfonyl-4-methylanilino)-N-prop-2-enylacetamide
CID 2286489
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(N-(2,4-dimethylphenyl)sulfonyl-4-methoxyanilino)propanamide
CID 55332200
2-[(3R)-1-[3-(N-(2,4-dimethylphenyl)sulfonyl-4-methoxyanilino)propanoyl]pyrrolidin-3-yl]-N-methylacetamide
CID 166434584
3-(2-methoxy-5-methyl-N-methylsulfonylanilino)-N-prop-2-enylpropanamide
CID 113144928
3-(3-methoxy-N-methylsulfonylanilino)-N-prop-2-enylpropanamide
CID 113144562
2-[(4-methoxy-2-methylphenyl)sulfonylamino]-N-prop-2-enylacetamide
CID 112990585
3-(N-methylsulfonyl-4-propan-2-yloxyanilino)-N-prop-2-enylpropanamide
CID 113145047
N-[[3,5-dimethyl-4-[(4-methylphenyl)methoxy]phenyl]methyl]-3-(N-(2,4-dimethylphenyl)sulfonyl-4-methoxyanilino)-N-ethylpropanamide
CID 166352873
N-(4-methoxyphenyl)-2,5-dimethyl-N-(2-methylsulfanylethyl)benzenesulfonamide
CID 4792892
3-(4-methoxy-N-methylsulfonylanilino)-N-[(3-methylphenyl)methyl]propanamide
CID 113144695
2-[4-[ethyl-(4-methylphenyl)sulfonylamino]phenoxy]-N-prop-2-enylacetamide
CID 17247274

Frequently Asked Questions

What is the IUPAC name of 3-(N-(2,4-dimethylphenyl)sulfonyl-4-methoxyanilino)-N-prop-2-enylpropanamide?
The IUPAC name of 3-(N-(2,4-dimethylphenyl)sulfonyl-4-methoxyanilino)-N-prop-2-enylpropanamide (CID 29435894) is 3-(N-(2,4-dimethylphenyl)sulfonyl-4-methoxyanilino)-N-prop-2-enylpropanamide.
What is the SMILES notation for 3-(N-(2,4-dimethylphenyl)sulfonyl-4-methoxyanilino)-N-prop-2-enylpropanamide?
The canonical SMILES for 3-(N-(2,4-dimethylphenyl)sulfonyl-4-methoxyanilino)-N-prop-2-enylpropanamide is C=CCNC(=O)CCN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)cc1C.
What is the InChIKey of 3-(N-(2,4-dimethylphenyl)sulfonyl-4-methoxyanilino)-N-prop-2-enylpropanamide?
The InChIKey is YZQOFFDYYBWGGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O4S/c1-5-13-22-21(24)12-14-23(18-7-9-19(27-4)10-8-18)28(25,26)20-11-6-16(2)15-17(20)3/h5-11,15H,1,12-14H2,2-4H3,(H,22,24).
What are the key properties of 3-(N-(2,4-dimethylphenyl)sulfonyl-4-methoxyanilino)-N-prop-2-enylpropanamide?
3-(N-(2,4-dimethylphenyl)sulfonyl-4-methoxyanilino)-N-prop-2-enylpropanamide has a molecular weight of 402.52 g/mol, XLogP of 3.20, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-(2,4-dimethylphenyl)sulfonyl-4-methoxyanilino)-N-prop-2-enylpropanamide is sourced from PubChem (CID 29435894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).