(E)-N-(5-chloro-2-methoxyphenyl)-3-phenylsulfanylprop-2-enamide

C16H14ClNO2S — CID 9073408

IUPAC(E)-N-(5-chloro-2-methoxyphenyl)-3-phenylsulfanylprop-2-enamide
SMILESCOc1ccc(Cl)cc1NC(=O)/C=C/Sc1ccccc1
InChIInChI=1S/C16H14ClNO2S/c1-20-15-8-7-12(17)11-14(15)18-16(19)9-10-21-13-5-3-2-4-6-13/h2-11H,1H3,(H,18,19)/b10-9+
InChIKeyREJQADBBZHDHAX-MDZDMXLPSA-N
MW319.81 g/mol
LogP4.59
Rot. Bonds5

About (E)-N-(5-chloro-2-methoxyphenyl)-3-phenylsulfanylprop-2-enamide

(E)-N-(5-chloro-2-methoxyphenyl)-3-phenylsulfanylprop-2-enamide (PubChem CID 9073408) has the molecular formula C16H14ClNO2S and a molecular weight of 319.81 g/mol. Its IUPAC name is (E)-N-(5-chloro-2-methoxyphenyl)-3-phenylsulfanylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-(5-chloro-2-methoxyphenyl)-3-phenylsulfanylprop-2-enamide
PubChem CID9073408
Molecular FormulaC16H14ClNO2S
Molecular Weight319.81 g/mol
Exact Mass319.04
IUPAC Name(E)-N-(5-chloro-2-methoxyphenyl)-3-phenylsulfanylprop-2-enamide
SMILESCOc1ccc(Cl)cc1NC(=O)/C=C/Sc1ccccc1
InChIInChI=1S/C16H14ClNO2S/c1-20-15-8-7-12(17)11-14(15)18-16(19)9-10-21-13-5-3-2-4-6-13/h2-11H,1H3,(H,18,19)/b10-9+
InChIKeyREJQADBBZHDHAX-MDZDMXLPSA-N
XLogP4.59
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.81
LogP ≤ 54.59
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)-N-(2-methoxyphenyl)-3-phenylsulfanylprop-2-enamide
CID 9453588
(E)-N-(5-chloro-2-methoxyphenyl)-3-(2-hydroxyphenyl)prop-2-enamide
CID 6017178
(2-fluorophenyl) (E)-4-(5-chloro-2-methoxyanilino)-4-oxobut-2-enoate
CID 91737471
(E)-N-(5-chloro-2-methoxyphenyl)-3-(3-methylphenyl)prop-2-enamide
CID 8763498
N-(2-methoxyphenyl)-4-[[(E)-3-phenylsulfanylprop-2-enoyl]amino]benzamide
CID 9083670
N-(5-chloro-2-methoxyphenyl)-3-(4-methoxyphenyl)prop-2-enamide
CID 881730
(E)-3-(5-chloro-2-methoxyphenyl)-N-(2-methoxyphenyl)prop-2-enamide
CID 17340973
(2R)-N-(5-chloro-2-methoxyphenyl)-2-phenyl-2-phenylsulfanylacetamide
CID 1371327
(E)-3-(5-bromofuran-2-yl)-N-(5-chloro-2-methoxyphenyl)prop-2-enamide
CID 26582535
methyl 4-[(E)-3-(5-chloro-2-methoxyanilino)-3-oxoprop-1-enyl]benzoate
CID 40627752
(2Z)-N-(5-chloro-2-methoxyphenyl)-2-phenylmethoxyiminoacetamide
CID 7666843
N-(5-chloro-2-methoxyphenyl)-3-(3,5-dichloro-2-methoxyphenyl)prop-2-enamide
CID 1421848

Frequently Asked Questions

What is the IUPAC name of (E)-N-(5-chloro-2-methoxyphenyl)-3-phenylsulfanylprop-2-enamide?
The IUPAC name of (E)-N-(5-chloro-2-methoxyphenyl)-3-phenylsulfanylprop-2-enamide (CID 9073408) is (E)-N-(5-chloro-2-methoxyphenyl)-3-phenylsulfanylprop-2-enamide.
What is the SMILES notation for (E)-N-(5-chloro-2-methoxyphenyl)-3-phenylsulfanylprop-2-enamide?
The canonical SMILES for (E)-N-(5-chloro-2-methoxyphenyl)-3-phenylsulfanylprop-2-enamide is COc1ccc(Cl)cc1NC(=O)/C=C/Sc1ccccc1.
What is the InChIKey of (E)-N-(5-chloro-2-methoxyphenyl)-3-phenylsulfanylprop-2-enamide?
The InChIKey is REJQADBBZHDHAX-MDZDMXLPSA-N. The full InChI is InChI=1S/C16H14ClNO2S/c1-20-15-8-7-12(17)11-14(15)18-16(19)9-10-21-13-5-3-2-4-6-13/h2-11H,1H3,(H,18,19)/b10-9+.
What are the key properties of (E)-N-(5-chloro-2-methoxyphenyl)-3-phenylsulfanylprop-2-enamide?
(E)-N-(5-chloro-2-methoxyphenyl)-3-phenylsulfanylprop-2-enamide has a molecular weight of 319.81 g/mol, XLogP of 4.59, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(5-chloro-2-methoxyphenyl)-3-phenylsulfanylprop-2-enamide is sourced from PubChem (CID 9073408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).