3-(4-chlorophenyl)-4-cyano-5-morpholin-4-ylthiophene-2-carboxamide

C16H14ClN3O2S — CID 70683291

IUPAC3-(4-chlorophenyl)-4-cyano-5-morpholin-4-ylthiophene-2-carboxamide
SMILESN#Cc1c(N2CCOCC2)sc(C(N)=O)c1-c1ccc(Cl)cc1
InChIInChI=1S/C16H14ClN3O2S/c17-11-3-1-10(2-4-11)13-12(9-18)16(23-14(13)15(19)21)20-5-7-22-8-6-20/h1-4H,5-8H2,(H2,19,21)
InChIKeyFBFUAHVOMNDGJW-UHFFFAOYSA-N
MW347.83 g/mol
LogP2.88
Rot. Bonds3

About 3-(4-chlorophenyl)-4-cyano-5-morpholin-4-ylthiophene-2-carboxamide

3-(4-chlorophenyl)-4-cyano-5-morpholin-4-ylthiophene-2-carboxamide (PubChem CID 70683291) has the molecular formula C16H14ClN3O2S and a molecular weight of 347.83 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-4-cyano-5-morpholin-4-ylthiophene-2-carboxamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)-4-cyano-5-morpholin-4-ylthiophene-2-carboxamide
PubChem CID70683291
Molecular FormulaC16H14ClN3O2S
Molecular Weight347.83 g/mol
Exact Mass347.05
IUPAC Name3-(4-chlorophenyl)-4-cyano-5-morpholin-4-ylthiophene-2-carboxamide
SMILESN#Cc1c(N2CCOCC2)sc(C(N)=O)c1-c1ccc(Cl)cc1
InChIInChI=1S/C16H14ClN3O2S/c17-11-3-1-10(2-4-11)13-12(9-18)16(23-14(13)15(19)21)20-5-7-22-8-6-20/h1-4H,5-8H2,(H2,19,21)
InChIKeyFBFUAHVOMNDGJW-UHFFFAOYSA-N
XLogP2.88
TPSA79.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.83
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-4-cyano-5-morpholin-4-ylthiophene-2-carboxamide?
The IUPAC name of 3-(4-chlorophenyl)-4-cyano-5-morpholin-4-ylthiophene-2-carboxamide (CID 70683291) is 3-(4-chlorophenyl)-4-cyano-5-morpholin-4-ylthiophene-2-carboxamide.
What is the SMILES notation for 3-(4-chlorophenyl)-4-cyano-5-morpholin-4-ylthiophene-2-carboxamide?
The canonical SMILES for 3-(4-chlorophenyl)-4-cyano-5-morpholin-4-ylthiophene-2-carboxamide is N#Cc1c(N2CCOCC2)sc(C(N)=O)c1-c1ccc(Cl)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-4-cyano-5-morpholin-4-ylthiophene-2-carboxamide?
The InChIKey is FBFUAHVOMNDGJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3O2S/c17-11-3-1-10(2-4-11)13-12(9-18)16(23-14(13)15(19)21)20-5-7-22-8-6-20/h1-4H,5-8H2,(H2,19,21).
What are the key properties of 3-(4-chlorophenyl)-4-cyano-5-morpholin-4-ylthiophene-2-carboxamide?
3-(4-chlorophenyl)-4-cyano-5-morpholin-4-ylthiophene-2-carboxamide has a molecular weight of 347.83 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-4-cyano-5-morpholin-4-ylthiophene-2-carboxamide is sourced from PubChem (CID 70683291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).