N-[3-chloro-2-(3-methylthiophen-2-yl)phenyl]-2-cyanoacetamide

C14H11ClN2OS — CID 123446944

IUPACN-[3-chloro-2-(3-methylthiophen-2-yl)phenyl]-2-cyanoacetamide
SMILESCc1ccsc1-c1c(Cl)cccc1NC(=O)CC#N
InChIInChI=1S/C14H11ClN2OS/c1-9-6-8-19-14(9)13-10(15)3-2-4-11(13)17-12(18)5-7-16/h2-4,6,8H,5H2,1H3,(H,17,18)
InChIKeyOPWCOUBJXBKZOP-UHFFFAOYSA-N
MW290.78 g/mol
LogP4.23
Rot. Bonds3

About N-[3-chloro-2-(3-methylthiophen-2-yl)phenyl]-2-cyanoacetamide

N-[3-chloro-2-(3-methylthiophen-2-yl)phenyl]-2-cyanoacetamide (PubChem CID 123446944) has the molecular formula C14H11ClN2OS and a molecular weight of 290.78 g/mol. Its IUPAC name is N-[3-chloro-2-(3-methylthiophen-2-yl)phenyl]-2-cyanoacetamide.

Molecular Properties

Compound NameN-[3-chloro-2-(3-methylthiophen-2-yl)phenyl]-2-cyanoacetamide
PubChem CID123446944
Molecular FormulaC14H11ClN2OS
Molecular Weight290.78 g/mol
Exact Mass290.03
IUPAC NameN-[3-chloro-2-(3-methylthiophen-2-yl)phenyl]-2-cyanoacetamide
SMILESCc1ccsc1-c1c(Cl)cccc1NC(=O)CC#N
InChIInChI=1S/C14H11ClN2OS/c1-9-6-8-19-14(9)13-10(15)3-2-4-11(13)17-12(18)5-7-16/h2-4,6,8H,5H2,1H3,(H,17,18)
InChIKeyOPWCOUBJXBKZOP-UHFFFAOYSA-N
XLogP4.23
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.78
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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methyl 3-[(2-cyanoacetyl)amino]thiophene-2-carboxylate
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N-[3-chloro-2-(4-methylpiperidin-1-yl)phenyl]-2-cyanoacetamide
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2-cyano-N-(2,3,4-trimethylphenyl)acetamide
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N-(3-chloro-2,6-dimethylphenyl)-2-cyanoacetamide
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2-cyano-N-[2-(2-methylphenyl)-1,3-dioxoisoindol-4-yl]acetamide
CID 168522994
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CID 693146

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-2-(3-methylthiophen-2-yl)phenyl]-2-cyanoacetamide?
The IUPAC name of N-[3-chloro-2-(3-methylthiophen-2-yl)phenyl]-2-cyanoacetamide (CID 123446944) is N-[3-chloro-2-(3-methylthiophen-2-yl)phenyl]-2-cyanoacetamide.
What is the SMILES notation for N-[3-chloro-2-(3-methylthiophen-2-yl)phenyl]-2-cyanoacetamide?
The canonical SMILES for N-[3-chloro-2-(3-methylthiophen-2-yl)phenyl]-2-cyanoacetamide is Cc1ccsc1-c1c(Cl)cccc1NC(=O)CC#N.
What is the InChIKey of N-[3-chloro-2-(3-methylthiophen-2-yl)phenyl]-2-cyanoacetamide?
The InChIKey is OPWCOUBJXBKZOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2OS/c1-9-6-8-19-14(9)13-10(15)3-2-4-11(13)17-12(18)5-7-16/h2-4,6,8H,5H2,1H3,(H,17,18).
What are the key properties of N-[3-chloro-2-(3-methylthiophen-2-yl)phenyl]-2-cyanoacetamide?
N-[3-chloro-2-(3-methylthiophen-2-yl)phenyl]-2-cyanoacetamide has a molecular weight of 290.78 g/mol, XLogP of 4.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-2-(3-methylthiophen-2-yl)phenyl]-2-cyanoacetamide is sourced from PubChem (CID 123446944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).