(E)-3-(5-chlorothiophen-2-yl)-N-(3-methylsulfanylphenyl)prop-2-enamide

C14H12ClNOS2 — CID 24610674

IUPAC(E)-3-(5-chlorothiophen-2-yl)-N-(3-methylsulfanylphenyl)prop-2-enamide
SMILESCSc1cccc(NC(=O)/C=C/c2ccc(Cl)s2)c1
InChIInChI=1S/C14H12ClNOS2/c1-18-12-4-2-3-10(9-12)16-14(17)8-6-11-5-7-13(15)19-11/h2-9H,1H3,(H,16,17)/b8-6+
InChIKeyLGSJPLBTWYCEKF-SOFGYWHQSA-N
MW309.84 g/mol
LogP4.78
Rot. Bonds4

About (E)-3-(5-chlorothiophen-2-yl)-N-(3-methylsulfanylphenyl)prop-2-enamide

(E)-3-(5-chlorothiophen-2-yl)-N-(3-methylsulfanylphenyl)prop-2-enamide (PubChem CID 24610674) has the molecular formula C14H12ClNOS2 and a molecular weight of 309.84 g/mol. Its IUPAC name is (E)-3-(5-chlorothiophen-2-yl)-N-(3-methylsulfanylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(5-chlorothiophen-2-yl)-N-(3-methylsulfanylphenyl)prop-2-enamide
PubChem CID24610674
Molecular FormulaC14H12ClNOS2
Molecular Weight309.84 g/mol
Exact Mass309.00
IUPAC Name(E)-3-(5-chlorothiophen-2-yl)-N-(3-methylsulfanylphenyl)prop-2-enamide
SMILESCSc1cccc(NC(=O)/C=C/c2ccc(Cl)s2)c1
InChIInChI=1S/C14H12ClNOS2/c1-18-12-4-2-3-10(9-12)16-14(17)8-6-11-5-7-13(15)19-11/h2-9H,1H3,(H,16,17)/b8-6+
InChIKeyLGSJPLBTWYCEKF-SOFGYWHQSA-N
XLogP4.78
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.84
LogP ≤ 54.78
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-(3-chlorophenyl)-3-(5-methylthiophen-2-yl)prop-2-enamide
CID 7789534
(E)-3-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-(3-methylsulfanylphenyl)prop-2-enamide
CID 51309340
(E)-3-(5-methylfuran-2-yl)-N-(3-methylsulfanylphenyl)prop-2-enamide
CID 2665588
1-[1-(5-chlorothiophen-2-yl)ethyl]-3-(3-methylsulfanylphenyl)urea
CID 17181717
(E)-3-(5-chlorothiophen-2-yl)-N-(4-fluoro-2-methylphenyl)prop-2-enamide
CID 24608443
(2E)-2-hydroxyimino-N-(3-methylsulfanylphenyl)acetamide
CID 10443095
(E)-N-(3-methylsulfanylphenyl)-3-(1-phenylpyrazol-4-yl)prop-2-enamide
CID 9072683
(E)-3-(1-benzylpyrazol-4-yl)-N-(3-methylsulfanylphenyl)prop-2-enamide
CID 9072581
(E)-N-(3-bromophenyl)-3-(5-bromothiophen-2-yl)prop-2-enamide
CID 129245252
3-chloro-2-[[(E)-3-(5-chlorothiophen-2-yl)prop-2-enoyl]amino]benzoic acid
CID 107046550
1-(3,5-dichlorophenyl)-3-(3-methylsulfanylphenyl)urea
CID 127577317
(3-methylsulfanylphenyl)carbamothioic S-acid
CID 154169667

Frequently Asked Questions

What is the IUPAC name of (E)-3-(5-chlorothiophen-2-yl)-N-(3-methylsulfanylphenyl)prop-2-enamide?
The IUPAC name of (E)-3-(5-chlorothiophen-2-yl)-N-(3-methylsulfanylphenyl)prop-2-enamide (CID 24610674) is (E)-3-(5-chlorothiophen-2-yl)-N-(3-methylsulfanylphenyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(5-chlorothiophen-2-yl)-N-(3-methylsulfanylphenyl)prop-2-enamide?
The canonical SMILES for (E)-3-(5-chlorothiophen-2-yl)-N-(3-methylsulfanylphenyl)prop-2-enamide is CSc1cccc(NC(=O)/C=C/c2ccc(Cl)s2)c1.
What is the InChIKey of (E)-3-(5-chlorothiophen-2-yl)-N-(3-methylsulfanylphenyl)prop-2-enamide?
The InChIKey is LGSJPLBTWYCEKF-SOFGYWHQSA-N. The full InChI is InChI=1S/C14H12ClNOS2/c1-18-12-4-2-3-10(9-12)16-14(17)8-6-11-5-7-13(15)19-11/h2-9H,1H3,(H,16,17)/b8-6+.
What are the key properties of (E)-3-(5-chlorothiophen-2-yl)-N-(3-methylsulfanylphenyl)prop-2-enamide?
(E)-3-(5-chlorothiophen-2-yl)-N-(3-methylsulfanylphenyl)prop-2-enamide has a molecular weight of 309.84 g/mol, XLogP of 4.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(5-chlorothiophen-2-yl)-N-(3-methylsulfanylphenyl)prop-2-enamide is sourced from PubChem (CID 24610674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).