(E)-3-(4-chlorophenyl)-N-(3-cyanothiophen-2-yl)prop-2-enamide

C14H9ClN2OS — CID 8914890

IUPAC(E)-3-(4-chlorophenyl)-N-(3-cyanothiophen-2-yl)prop-2-enamide
SMILESN#Cc1ccsc1NC(=O)/C=C/c1ccc(Cl)cc1
InChIInChI=1S/C14H9ClN2OS/c15-12-4-1-10(2-5-12)3-6-13(18)17-14-11(9-16)7-8-19-14/h1-8H,(H,17,18)/b6-3+
InChIKeyOXZCLHUVBWFZRL-ZZXKWVIFSA-N
MW288.76 g/mol
LogP3.93
Rot. Bonds3

About (E)-3-(4-chlorophenyl)-N-(3-cyanothiophen-2-yl)prop-2-enamide

(E)-3-(4-chlorophenyl)-N-(3-cyanothiophen-2-yl)prop-2-enamide (PubChem CID 8914890) has the molecular formula C14H9ClN2OS and a molecular weight of 288.76 g/mol. Its IUPAC name is (E)-3-(4-chlorophenyl)-N-(3-cyanothiophen-2-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-chlorophenyl)-N-(3-cyanothiophen-2-yl)prop-2-enamide
PubChem CID8914890
Molecular FormulaC14H9ClN2OS
Molecular Weight288.76 g/mol
Exact Mass288.01
IUPAC Name(E)-3-(4-chlorophenyl)-N-(3-cyanothiophen-2-yl)prop-2-enamide
SMILESN#Cc1ccsc1NC(=O)/C=C/c1ccc(Cl)cc1
InChIInChI=1S/C14H9ClN2OS/c15-12-4-1-10(2-5-12)3-6-13(18)17-14-11(9-16)7-8-19-14/h1-8H,(H,17,18)/b6-3+
InChIKeyOXZCLHUVBWFZRL-ZZXKWVIFSA-N
XLogP3.93
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.76
LogP ≤ 53.93
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-cyanothiophen-2-yl)-3-(4-fluorophenyl)prop-2-enamide
CID 8915005
(Z)-N-(3-cyanothiophen-2-yl)-3-(4-nitrophenyl)prop-2-enamide
CID 42387606
(E)-N-(3-cyanothiophen-2-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 8914994
[2-(4-chloroanilino)-2-oxoethyl]-[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl]-methylazanium
CID 9167380
[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl] (E)-3-(3,4-dichlorophenyl)prop-2-enoate
CID 7997092
[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl] (E)-3-(4-fluorophenyl)prop-2-enoate
CID 2552471
[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl] 3-(4-methylsulfanylphenyl)prop-2-enoate
CID 3968436
N-(3-cyanothiophen-2-yl)-4-morpholin-4-yl-4-oxobut-2-enamide
CID 140720499
(E)-3-(4-chlorophenyl)-N-(1,3,4-thiadiazol-2-yl)prop-2-enamide
CID 6289125
2-chloro-N-(3-cyanothiophen-2-yl)benzamide
CID 2105085
[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl] (E)-3-[4-(difluoromethoxy)phenyl]prop-2-enoate
CID 7996560
N-(3-cyanothiophen-2-yl)-3,3-dimethylbutanamide
CID 17374418

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-chlorophenyl)-N-(3-cyanothiophen-2-yl)prop-2-enamide?
The IUPAC name of (E)-3-(4-chlorophenyl)-N-(3-cyanothiophen-2-yl)prop-2-enamide (CID 8914890) is (E)-3-(4-chlorophenyl)-N-(3-cyanothiophen-2-yl)prop-2-enamide.
What is the SMILES notation for (E)-3-(4-chlorophenyl)-N-(3-cyanothiophen-2-yl)prop-2-enamide?
The canonical SMILES for (E)-3-(4-chlorophenyl)-N-(3-cyanothiophen-2-yl)prop-2-enamide is N#Cc1ccsc1NC(=O)/C=C/c1ccc(Cl)cc1.
What is the InChIKey of (E)-3-(4-chlorophenyl)-N-(3-cyanothiophen-2-yl)prop-2-enamide?
The InChIKey is OXZCLHUVBWFZRL-ZZXKWVIFSA-N. The full InChI is InChI=1S/C14H9ClN2OS/c15-12-4-1-10(2-5-12)3-6-13(18)17-14-11(9-16)7-8-19-14/h1-8H,(H,17,18)/b6-3+.
What are the key properties of (E)-3-(4-chlorophenyl)-N-(3-cyanothiophen-2-yl)prop-2-enamide?
(E)-3-(4-chlorophenyl)-N-(3-cyanothiophen-2-yl)prop-2-enamide has a molecular weight of 288.76 g/mol, XLogP of 3.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-chlorophenyl)-N-(3-cyanothiophen-2-yl)prop-2-enamide is sourced from PubChem (CID 8914890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).