(E)-N-(4-chlorophenyl)-3-thiophen-3-ylprop-2-enamide

C13H10ClNOS — CID 30268790

IUPAC(E)-N-(4-chlorophenyl)-3-thiophen-3-ylprop-2-enamide
SMILESO=C(/C=C/c1ccsc1)Nc1ccc(Cl)cc1
InChIInChI=1S/C13H10ClNOS/c14-11-2-4-12(5-3-11)15-13(16)6-1-10-7-8-17-9-10/h1-9H,(H,15,16)/b6-1+
InChIKeyYQKSJXOAOKECMW-LZCJLJQNSA-N
MW263.75 g/mol
LogP4.05
Rot. Bonds3

About (E)-N-(4-chlorophenyl)-3-thiophen-3-ylprop-2-enamide

(E)-N-(4-chlorophenyl)-3-thiophen-3-ylprop-2-enamide (PubChem CID 30268790) has the molecular formula C13H10ClNOS and a molecular weight of 263.75 g/mol. Its IUPAC name is (E)-N-(4-chlorophenyl)-3-thiophen-3-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-(4-chlorophenyl)-3-thiophen-3-ylprop-2-enamide
PubChem CID30268790
Molecular FormulaC13H10ClNOS
Molecular Weight263.75 g/mol
Exact Mass263.02
IUPAC Name(E)-N-(4-chlorophenyl)-3-thiophen-3-ylprop-2-enamide
SMILESO=C(/C=C/c1ccsc1)Nc1ccc(Cl)cc1
InChIInChI=1S/C13H10ClNOS/c14-11-2-4-12(5-3-11)15-13(16)6-1-10-7-8-17-9-10/h1-9H,(H,15,16)/b6-1+
InChIKeyYQKSJXOAOKECMW-LZCJLJQNSA-N
XLogP4.05
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.75
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(4-chlorophenyl)-N-(4-hydroxyphenyl)prop-2-enamide
CID 3267972
(E)-3-(4-chlorophenyl)-N-(4-iodophenyl)prop-2-enamide
CID 1179042
(E)-N-(3-bromophenyl)-3-thiophen-3-ylprop-2-enamide
CID 30267608
(E)-N-(4-piperidin-1-ylsulfonylphenyl)-3-thiophen-3-ylprop-2-enamide
CID 30269722
N-(4-chlorophenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 763457
N-(4-chlorophenyl)-3-(4-methoxyphenyl)prop-2-enamide
CID 773597
(E)-3-(4-chlorophenyl)-N-[4-(trifluoromethyl)phenyl]prop-2-enamide
CID 17071391
(E)-N-(2,6-dimethylphenyl)-3-thiophen-3-ylprop-2-enamide
CID 51191800
3-(4-chlorophenyl)-N-(4-methoxyphenyl)prop-2-enamide
CID 692413
(E)-3-(4-chlorophenyl)-N-(4-sulfamoylphenyl)prop-2-enamide
CID 809685
(E)-N-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-3-(4-chlorophenyl)prop-2-enamide
CID 28865321
3-(4-chlorophenyl)-N-(4-phenoxyphenyl)prop-2-enamide
CID 892966

Frequently Asked Questions

What is the IUPAC name of (E)-N-(4-chlorophenyl)-3-thiophen-3-ylprop-2-enamide?
The IUPAC name of (E)-N-(4-chlorophenyl)-3-thiophen-3-ylprop-2-enamide (CID 30268790) is (E)-N-(4-chlorophenyl)-3-thiophen-3-ylprop-2-enamide.
What is the SMILES notation for (E)-N-(4-chlorophenyl)-3-thiophen-3-ylprop-2-enamide?
The canonical SMILES for (E)-N-(4-chlorophenyl)-3-thiophen-3-ylprop-2-enamide is O=C(/C=C/c1ccsc1)Nc1ccc(Cl)cc1.
What is the InChIKey of (E)-N-(4-chlorophenyl)-3-thiophen-3-ylprop-2-enamide?
The InChIKey is YQKSJXOAOKECMW-LZCJLJQNSA-N. The full InChI is InChI=1S/C13H10ClNOS/c14-11-2-4-12(5-3-11)15-13(16)6-1-10-7-8-17-9-10/h1-9H,(H,15,16)/b6-1+.
What are the key properties of (E)-N-(4-chlorophenyl)-3-thiophen-3-ylprop-2-enamide?
(E)-N-(4-chlorophenyl)-3-thiophen-3-ylprop-2-enamide has a molecular weight of 263.75 g/mol, XLogP of 4.05, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(4-chlorophenyl)-3-thiophen-3-ylprop-2-enamide is sourced from PubChem (CID 30268790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).