(E)-3-(2-chlorophenyl)-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]prop-2-enamide

C19H19ClN2O2S — CID 7969609

IUPAC(E)-3-(2-chlorophenyl)-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]prop-2-enamide
SMILESCSc1ccccc1NC(=O)CN(C)C(=O)/C=C/c1ccccc1Cl
InChIInChI=1S/C19H19ClN2O2S/c1-22(19(24)12-11-14-7-3-4-8-15(14)20)13-18(23)21-16-9-5-6-10-17(16)25-2/h3-12H,13H2,1-2H3,(H,21,23)/b12-11+
InChIKeyVSKIALXGMSIAHF-VAWYXSNFSA-N
MW374.89 g/mol
LogP4.17
Rot. Bonds6

About (E)-3-(2-chlorophenyl)-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]prop-2-enamide

(E)-3-(2-chlorophenyl)-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]prop-2-enamide (PubChem CID 7969609) has the molecular formula C19H19ClN2O2S and a molecular weight of 374.89 g/mol. Its IUPAC name is (E)-3-(2-chlorophenyl)-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2-chlorophenyl)-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]prop-2-enamide
PubChem CID7969609
Molecular FormulaC19H19ClN2O2S
Molecular Weight374.89 g/mol
Exact Mass374.09
IUPAC Name(E)-3-(2-chlorophenyl)-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]prop-2-enamide
SMILESCSc1ccccc1NC(=O)CN(C)C(=O)/C=C/c1ccccc1Cl
InChIInChI=1S/C19H19ClN2O2S/c1-22(19(24)12-11-14-7-3-4-8-15(14)20)13-18(23)21-16-9-5-6-10-17(16)25-2/h3-12H,13H2,1-2H3,(H,21,23)/b12-11+
InChIKeyVSKIALXGMSIAHF-VAWYXSNFSA-N
XLogP4.17
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.89
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-3-(4-fluorophenyl)-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]prop-2-enamide
CID 51144379
(E)-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]-3-quinolin-8-ylprop-2-enamide
CID 51333791
(E)-3-(2-chlorophenyl)-N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methylprop-2-enamide
CID 9479889
(E)-N-[2-(2-chloroanilino)-2-oxoethyl]-3-(2-methoxyphenyl)-N-methylprop-2-enamide
CID 9409894
(E)-N-[2-(2-chloroanilino)-2-oxoethyl]-3-(2-ethoxyphenyl)-N-methylprop-2-enamide
CID 9409771
(E)-3-(2,5-dichlorophenyl)-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylprop-2-enamide
CID 55456685
(E)-3-(2-chlorophenyl)-N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N-methylprop-2-enamide
CID 9438905
2-[(2-chlorophenyl)methyl-methylamino]-N-(2-methylsulfanylphenyl)acetamide
CID 27222681
(2R)-2-(2-chlorophenoxy)-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]propanamide
CID 38488860
3,5-dichloro-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]benzamide
CID 9417026
3-[2-chloro-5-(trifluoromethyl)phenyl]-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylprop-2-enamide
CID 55333062
2-chloro-4-fluoro-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]benzamide
CID 38765269

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2-chlorophenyl)-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]prop-2-enamide?
The IUPAC name of (E)-3-(2-chlorophenyl)-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]prop-2-enamide (CID 7969609) is (E)-3-(2-chlorophenyl)-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(2-chlorophenyl)-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]prop-2-enamide?
The canonical SMILES for (E)-3-(2-chlorophenyl)-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]prop-2-enamide is CSc1ccccc1NC(=O)CN(C)C(=O)/C=C/c1ccccc1Cl.
What is the InChIKey of (E)-3-(2-chlorophenyl)-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]prop-2-enamide?
The InChIKey is VSKIALXGMSIAHF-VAWYXSNFSA-N. The full InChI is InChI=1S/C19H19ClN2O2S/c1-22(19(24)12-11-14-7-3-4-8-15(14)20)13-18(23)21-16-9-5-6-10-17(16)25-2/h3-12H,13H2,1-2H3,(H,21,23)/b12-11+.
What are the key properties of (E)-3-(2-chlorophenyl)-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]prop-2-enamide?
(E)-3-(2-chlorophenyl)-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]prop-2-enamide has a molecular weight of 374.89 g/mol, XLogP of 4.17, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2-chlorophenyl)-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]prop-2-enamide is sourced from PubChem (CID 7969609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).