N-[4-(4-chlorophenyl)-3,5-dicyanothiophen-2-yl]acetamide

C14H8ClN3OS — CID 54771397

IUPACN-[4-(4-chlorophenyl)-3,5-dicyanothiophen-2-yl]acetamide
SMILESCC(=O)Nc1sc(C#N)c(-c2ccc(Cl)cc2)c1C#N
InChIInChI=1S/C14H8ClN3OS/c1-8(19)18-14-11(6-16)13(12(7-17)20-14)9-2-4-10(15)5-3-9/h2-5H,1H3,(H,18,19)
InChIKeyMNUJXXYIWXBKBL-UHFFFAOYSA-N
MW301.76 g/mol
LogP3.77
Rot. Bonds2

About N-[4-(4-chlorophenyl)-3,5-dicyanothiophen-2-yl]acetamide

N-[4-(4-chlorophenyl)-3,5-dicyanothiophen-2-yl]acetamide (PubChem CID 54771397) has the molecular formula C14H8ClN3OS and a molecular weight of 301.76 g/mol. Its IUPAC name is N-[4-(4-chlorophenyl)-3,5-dicyanothiophen-2-yl]acetamide.

Molecular Properties

Compound NameN-[4-(4-chlorophenyl)-3,5-dicyanothiophen-2-yl]acetamide
PubChem CID54771397
Molecular FormulaC14H8ClN3OS
Molecular Weight301.76 g/mol
Exact Mass301.01
IUPAC NameN-[4-(4-chlorophenyl)-3,5-dicyanothiophen-2-yl]acetamide
SMILESCC(=O)Nc1sc(C#N)c(-c2ccc(Cl)cc2)c1C#N
InChIInChI=1S/C14H8ClN3OS/c1-8(19)18-14-11(6-16)13(12(7-17)20-14)9-2-4-10(15)5-3-9/h2-5H,1H3,(H,18,19)
InChIKeyMNUJXXYIWXBKBL-UHFFFAOYSA-N
XLogP3.77
TPSA76.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.76
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[4-(4-chlorophenyl)-3,5-dicyanothiophen-2-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-amino-3-(4-chlorophenyl)-4-cyanothiophene-2-carboxylic acid
CID 54763675
5-amino-3-(4-chlorophenyl)-N-[(4-chlorophenyl)carbamoyl]-4-cyanothiophene-2-carboxamide
CID 44543198
2,3-dichloro-N-[3-cyano-4-(4-ethylphenyl)-5-methylthiophen-2-yl]benzamide
CID 3656316
4-chloro-N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)benzamide
CID 3294417
3-[4-(4-chlorophenyl)phenyl]-4-cyano-1,5-dimethylpyrrole-2-carboxylic acid
CID 143040639
4-(4-chloro-2-methylphenoxy)-N-(3-cyano-5-methyl-4-phenylthiophen-2-yl)butanamide
CID 4172635
2-(4-chlorophenyl)sulfonyl-N-(3-cyano-4,5-dimethylthiophen-2-yl)acetamide
CID 7287169
6-[[3-cyano-5-methyl-4-(4-methylphenyl)thiophen-2-yl]carbamoyl]-3,4-dimethylcyclohex-3-ene-1-carboxylic acid
CID 17377193
methyl 5-[[2-(4-chlorophenyl)sulfanylacetyl]amino]-4-cyano-3-methylthiophene-2-carboxylate
CID 3627319
N-(3-cyano-5-methyl-4-phenylthiophen-2-yl)-2-phenoxyacetamide
CID 1246602
N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-chlorobenzamide
CID 3533606
(1R,2S,3S,4S)-3-[[3-cyano-5-methyl-4-(4-propan-2-ylphenyl)thiophen-2-yl]carbamoyl]bicyclo[2.2.2]oct-5-ene-2-carboxylic acid
CID 51705795

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-chlorophenyl)-3,5-dicyanothiophen-2-yl]acetamide?
The IUPAC name of N-[4-(4-chlorophenyl)-3,5-dicyanothiophen-2-yl]acetamide (CID 54771397) is N-[4-(4-chlorophenyl)-3,5-dicyanothiophen-2-yl]acetamide.
What is the SMILES notation for N-[4-(4-chlorophenyl)-3,5-dicyanothiophen-2-yl]acetamide?
The canonical SMILES for N-[4-(4-chlorophenyl)-3,5-dicyanothiophen-2-yl]acetamide is CC(=O)Nc1sc(C#N)c(-c2ccc(Cl)cc2)c1C#N.
What is the InChIKey of N-[4-(4-chlorophenyl)-3,5-dicyanothiophen-2-yl]acetamide?
The InChIKey is MNUJXXYIWXBKBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8ClN3OS/c1-8(19)18-14-11(6-16)13(12(7-17)20-14)9-2-4-10(15)5-3-9/h2-5H,1H3,(H,18,19).
What are the key properties of N-[4-(4-chlorophenyl)-3,5-dicyanothiophen-2-yl]acetamide?
N-[4-(4-chlorophenyl)-3,5-dicyanothiophen-2-yl]acetamide has a molecular weight of 301.76 g/mol, XLogP of 3.77, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-chlorophenyl)-3,5-dicyanothiophen-2-yl]acetamide is sourced from PubChem (CID 54771397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).