(E)-N-[2-[2-(4-chlorophenyl)sulfanylethylamino]-2-oxoethyl]-3-phenylprop-2-enamide

C19H19ClN2O2S — CID 9259120

IUPAC(E)-N-[2-[2-(4-chlorophenyl)sulfanylethylamino]-2-oxoethyl]-3-phenylprop-2-enamide
SMILESO=C(/C=C/c1ccccc1)NCC(=O)NCCSc1ccc(Cl)cc1
InChIInChI=1S/C19H19ClN2O2S/c20-16-7-9-17(10-8-16)25-13-12-21-19(24)14-22-18(23)11-6-15-4-2-1-3-5-15/h1-11H,12-14H2,(H,21,24)(H,22,23)/b11-6+
InChIKeyDPDVQSKJONPYJS-IZZDOVSWSA-N
MW374.89 g/mol
LogP3.38
Rot. Bonds8

About (E)-N-[2-[2-(4-chlorophenyl)sulfanylethylamino]-2-oxoethyl]-3-phenylprop-2-enamide

(E)-N-[2-[2-(4-chlorophenyl)sulfanylethylamino]-2-oxoethyl]-3-phenylprop-2-enamide (PubChem CID 9259120) has the molecular formula C19H19ClN2O2S and a molecular weight of 374.89 g/mol. Its IUPAC name is (E)-N-[2-[2-(4-chlorophenyl)sulfanylethylamino]-2-oxoethyl]-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[2-[2-(4-chlorophenyl)sulfanylethylamino]-2-oxoethyl]-3-phenylprop-2-enamide
PubChem CID9259120
Molecular FormulaC19H19ClN2O2S
Molecular Weight374.89 g/mol
Exact Mass374.09
IUPAC Name(E)-N-[2-[2-(4-chlorophenyl)sulfanylethylamino]-2-oxoethyl]-3-phenylprop-2-enamide
SMILESO=C(/C=C/c1ccccc1)NCC(=O)NCCSc1ccc(Cl)cc1
InChIInChI=1S/C19H19ClN2O2S/c20-16-7-9-17(10-8-16)25-13-12-21-19(24)14-22-18(23)11-6-15-4-2-1-3-5-15/h1-11H,12-14H2,(H,21,24)(H,22,23)/b11-6+
InChIKeyDPDVQSKJONPYJS-IZZDOVSWSA-N
XLogP3.38
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.89
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(3-chlorophenyl)-N-(2-phenylsulfanylethyl)prop-2-enamide
CID 9482873
4-[(E)-3-[2-(4-chlorophenyl)sulfanylethylamino]-3-oxoprop-1-enyl]-N-methylbenzamide
CID 134002699
(Z)-N-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]-3-phenylprop-2-enamide
CID 2284812
(E)-N-[2-oxo-2-(prop-2-enylamino)ethyl]-3-phenylprop-2-enamide
CID 9442241
(E)-N-[2-(4-chlorophenyl)sulfanylethyl]-3-(2-methoxyphenyl)prop-2-enamide
CID 2176452
N-[2-(4-chlorophenyl)sulfanylethyl]-2-(4-phenylphenyl)acetamide
CID 100514943
3-(4-nitrophenyl)-N-(2-phenylsulfanylethyl)prop-2-enamide
CID 2873741
(E)-N-[2-(4-chlorophenyl)sulfanylethyl]-3-[4-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enamide
CID 55494756
N-methyl-4-[(E)-3-oxo-3-(2-phenylsulfanylethylamino)prop-1-enyl]benzamide
CID 134002494
(Z)-3-phenyl-N-[2-[[(E)-3-phenylprop-2-enoyl]amino]ethyl]prop-2-enamide
CID 51351606
N-[2-(4-chlorophenyl)sulfanylethyl]-2-naphthalen-2-ylsulfanylacetamide
CID 7630379
3-(benzenesulfonyl)-N-[2-(4-chlorophenyl)sulfanylethyl]propanamide
CID 9258901

Frequently Asked Questions

What is the IUPAC name of (E)-N-[2-[2-(4-chlorophenyl)sulfanylethylamino]-2-oxoethyl]-3-phenylprop-2-enamide?
The IUPAC name of (E)-N-[2-[2-(4-chlorophenyl)sulfanylethylamino]-2-oxoethyl]-3-phenylprop-2-enamide (CID 9259120) is (E)-N-[2-[2-(4-chlorophenyl)sulfanylethylamino]-2-oxoethyl]-3-phenylprop-2-enamide.
What is the SMILES notation for (E)-N-[2-[2-(4-chlorophenyl)sulfanylethylamino]-2-oxoethyl]-3-phenylprop-2-enamide?
The canonical SMILES for (E)-N-[2-[2-(4-chlorophenyl)sulfanylethylamino]-2-oxoethyl]-3-phenylprop-2-enamide is O=C(/C=C/c1ccccc1)NCC(=O)NCCSc1ccc(Cl)cc1.
What is the InChIKey of (E)-N-[2-[2-(4-chlorophenyl)sulfanylethylamino]-2-oxoethyl]-3-phenylprop-2-enamide?
The InChIKey is DPDVQSKJONPYJS-IZZDOVSWSA-N. The full InChI is InChI=1S/C19H19ClN2O2S/c20-16-7-9-17(10-8-16)25-13-12-21-19(24)14-22-18(23)11-6-15-4-2-1-3-5-15/h1-11H,12-14H2,(H,21,24)(H,22,23)/b11-6+.
What are the key properties of (E)-N-[2-[2-(4-chlorophenyl)sulfanylethylamino]-2-oxoethyl]-3-phenylprop-2-enamide?
(E)-N-[2-[2-(4-chlorophenyl)sulfanylethylamino]-2-oxoethyl]-3-phenylprop-2-enamide has a molecular weight of 374.89 g/mol, XLogP of 3.38, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[2-[2-(4-chlorophenyl)sulfanylethylamino]-2-oxoethyl]-3-phenylprop-2-enamide is sourced from PubChem (CID 9259120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).