2-cyano-N-(3-cyano-4-phenylthiophen-2-yl)acetamide

C14H9N3OS — CID 46731752

IUPAC2-cyano-N-(3-cyano-4-phenylthiophen-2-yl)acetamide
SMILESN#CCC(=O)Nc1scc(-c2ccccc2)c1C#N
InChIInChI=1S/C14H9N3OS/c15-7-6-13(18)17-14-11(8-16)12(9-19-14)10-4-2-1-3-5-10/h1-5,9H,6H2,(H,17,18)
InChIKeyOAHOSHCNXQISKC-UHFFFAOYSA-N
MW267.31 g/mol
LogP3.14
Rot. Bonds3

About 2-cyano-N-(3-cyano-4-phenylthiophen-2-yl)acetamide

2-cyano-N-(3-cyano-4-phenylthiophen-2-yl)acetamide (PubChem CID 46731752) has the molecular formula C14H9N3OS and a molecular weight of 267.31 g/mol. Its IUPAC name is 2-cyano-N-(3-cyano-4-phenylthiophen-2-yl)acetamide.

Molecular Properties

Compound Name2-cyano-N-(3-cyano-4-phenylthiophen-2-yl)acetamide
PubChem CID46731752
Molecular FormulaC14H9N3OS
Molecular Weight267.31 g/mol
Exact Mass267.05
IUPAC Name2-cyano-N-(3-cyano-4-phenylthiophen-2-yl)acetamide
SMILESN#CCC(=O)Nc1scc(-c2ccccc2)c1C#N
InChIInChI=1S/C14H9N3OS/c15-7-6-13(18)17-14-11(8-16)12(9-19-14)10-4-2-1-3-5-10/h1-5,9H,6H2,(H,17,18)
InChIKeyOAHOSHCNXQISKC-UHFFFAOYSA-N
XLogP3.14
TPSA76.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.31
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyano-N-(3-cyano-4-methylthiophen-2-yl)acetamide
CID 12526029
3-[(3-cyano-4-phenylthiophen-2-yl)carbamoyl]pyrazine-2-carboxylic acid
CID 53270987
2-[[3-[2-[(3-cyano-4-phenylthiophen-2-yl)amino]-2-oxoethyl]sulfanylphenyl]carbamoyl]benzoic acid
CID 18897614
N-[3-[2-[(3-cyano-4-phenylthiophen-2-yl)amino]-2-oxoethyl]sulfanylphenyl]thiophene-2-carboxamide
CID 18911138
N-(3-cyano-4-phenylthiophen-2-yl)-2-[3-[(4-methylphenyl)carbamothioylamino]phenyl]sulfanylacetamide
CID 19317591
4-[3-[1-[(3-cyano-4-phenylthiophen-2-yl)amino]-1-oxopropan-2-yl]sulfanylanilino]-4-oxobutanoic acid
CID 18898241
4-chloro-N-[3-cyano-4-(4-fluorophenyl)thiophen-2-yl]benzamide
CID 17285013
2-(2-nitroanilino)-4-phenylthiophene-3-carbonitrile
CID 126539633
2-anilino-4-(4-methylphenyl)thiophene-3-carbonitrile
CID 13398047
N-(3-cyano-4-phenylthiophen-2-yl)-2-[3-[(2-phenoxyacetyl)amino]phenyl]sulfanyl-2-phenylacetamide
CID 18910940
N-[3-[1-[(3-cyano-4-phenylthiophen-2-yl)amino]-1-oxopropan-2-yl]sulfanylphenyl]-4-methylbenzamide
CID 18911501
N-(3-cyano-4-phenylthiophen-2-yl)-2-phenyl-2-[3-(phenylcarbamothioylamino)phenyl]sulfanylacetamide
CID 19317525

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(3-cyano-4-phenylthiophen-2-yl)acetamide?
The IUPAC name of 2-cyano-N-(3-cyano-4-phenylthiophen-2-yl)acetamide (CID 46731752) is 2-cyano-N-(3-cyano-4-phenylthiophen-2-yl)acetamide.
What is the SMILES notation for 2-cyano-N-(3-cyano-4-phenylthiophen-2-yl)acetamide?
The canonical SMILES for 2-cyano-N-(3-cyano-4-phenylthiophen-2-yl)acetamide is N#CCC(=O)Nc1scc(-c2ccccc2)c1C#N.
What is the InChIKey of 2-cyano-N-(3-cyano-4-phenylthiophen-2-yl)acetamide?
The InChIKey is OAHOSHCNXQISKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9N3OS/c15-7-6-13(18)17-14-11(8-16)12(9-19-14)10-4-2-1-3-5-10/h1-5,9H,6H2,(H,17,18).
What are the key properties of 2-cyano-N-(3-cyano-4-phenylthiophen-2-yl)acetamide?
2-cyano-N-(3-cyano-4-phenylthiophen-2-yl)acetamide has a molecular weight of 267.31 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-(3-cyano-4-phenylthiophen-2-yl)acetamide is sourced from PubChem (CID 46731752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).