3-chloro-N-[4-(cyanomethoxy)phenyl]-4-methylthiophene-2-carboxamide

C14H11ClN2O2S — CID 103401608

IUPAC3-chloro-N-[4-(cyanomethoxy)phenyl]-4-methylthiophene-2-carboxamide
SMILESCc1csc(C(=O)Nc2ccc(OCC#N)cc2)c1Cl
InChIInChI=1S/C14H11ClN2O2S/c1-9-8-20-13(12(9)15)14(18)17-10-2-4-11(5-3-10)19-7-6-16/h2-5,8H,7H2,1H3,(H,17,18)
InChIKeyHQQVUJMYXYKOSY-UHFFFAOYSA-N
MW306.77 g/mol
LogP3.86
Rot. Bonds4

About 3-chloro-N-[4-(cyanomethoxy)phenyl]-4-methylthiophene-2-carboxamide

3-chloro-N-[4-(cyanomethoxy)phenyl]-4-methylthiophene-2-carboxamide (PubChem CID 103401608) has the molecular formula C14H11ClN2O2S and a molecular weight of 306.77 g/mol. Its IUPAC name is 3-chloro-N-[4-(cyanomethoxy)phenyl]-4-methylthiophene-2-carboxamide.

Molecular Properties

Compound Name3-chloro-N-[4-(cyanomethoxy)phenyl]-4-methylthiophene-2-carboxamide
PubChem CID103401608
Molecular FormulaC14H11ClN2O2S
Molecular Weight306.77 g/mol
Exact Mass306.02
IUPAC Name3-chloro-N-[4-(cyanomethoxy)phenyl]-4-methylthiophene-2-carboxamide
SMILESCc1csc(C(=O)Nc2ccc(OCC#N)cc2)c1Cl
InChIInChI=1S/C14H11ClN2O2S/c1-9-8-20-13(12(9)15)14(18)17-10-2-4-11(5-3-10)19-7-6-16/h2-5,8H,7H2,1H3,(H,17,18)
InChIKeyHQQVUJMYXYKOSY-UHFFFAOYSA-N
XLogP3.86
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.77
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-N-(4-iodophenyl)-4-methylthiophene-2-carboxamide
CID 103401913
N-[4-(cyanomethoxy)phenyl]pyridine-2-carboxamide
CID 30874024
N-[4-(cyanomethoxy)phenyl]-3-hydroxy-4-methylbenzamide
CID 43369113
4-bromo-N-[4-(cyanomethoxy)phenyl]-2-methylbenzamide
CID 43629917
4-bromo-N-[4-(cyanomethoxy)phenyl]-3-methylbenzamide
CID 115769505
3-chloro-N-[4-(cyanomethoxy)phenyl]benzamide
CID 30874096
5-[(3-chloro-4-methylthiophene-2-carbonyl)amino]-2-methylbenzoic acid
CID 103400124
N-[4-(cyanomethoxy)phenyl]-3-fluoro-5-methylbenzamide
CID 115659773
N-[4-(cyanomethoxy)phenyl]-1-methylimidazole-4-carboxamide
CID 103858045
N-[4-(cyanomethoxy)phenyl]-2,6-dimethylpyridine-3-carboxamide
CID 61058980
4-(carbamoylamino)-N-[4-(cyanomethoxy)phenyl]benzamide
CID 26114223
N-[4-(cyanomethoxy)phenyl]-3,5-dihydroxybenzamide
CID 107703130

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[4-(cyanomethoxy)phenyl]-4-methylthiophene-2-carboxamide?
The IUPAC name of 3-chloro-N-[4-(cyanomethoxy)phenyl]-4-methylthiophene-2-carboxamide (CID 103401608) is 3-chloro-N-[4-(cyanomethoxy)phenyl]-4-methylthiophene-2-carboxamide.
What is the SMILES notation for 3-chloro-N-[4-(cyanomethoxy)phenyl]-4-methylthiophene-2-carboxamide?
The canonical SMILES for 3-chloro-N-[4-(cyanomethoxy)phenyl]-4-methylthiophene-2-carboxamide is Cc1csc(C(=O)Nc2ccc(OCC#N)cc2)c1Cl.
What is the InChIKey of 3-chloro-N-[4-(cyanomethoxy)phenyl]-4-methylthiophene-2-carboxamide?
The InChIKey is HQQVUJMYXYKOSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2O2S/c1-9-8-20-13(12(9)15)14(18)17-10-2-4-11(5-3-10)19-7-6-16/h2-5,8H,7H2,1H3,(H,17,18).
What are the key properties of 3-chloro-N-[4-(cyanomethoxy)phenyl]-4-methylthiophene-2-carboxamide?
3-chloro-N-[4-(cyanomethoxy)phenyl]-4-methylthiophene-2-carboxamide has a molecular weight of 306.77 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[4-(cyanomethoxy)phenyl]-4-methylthiophene-2-carboxamide is sourced from PubChem (CID 103401608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).