N-[2-(4-chlorophenyl)-2-oxoethyl]thiophene-2-carboxamide

C13H10ClNO2S — CID 856372

IUPACN-[2-(4-chlorophenyl)-2-oxoethyl]thiophene-2-carboxamide
SMILESO=C(CNC(=O)c1cccs1)c1ccc(Cl)cc1
InChIInChI=1S/C13H10ClNO2S/c14-10-5-3-9(4-6-10)11(16)8-15-13(17)12-2-1-7-18-12/h1-7H,8H2,(H,15,17)
InChIKeyZHYJJRIEDLACNO-UHFFFAOYSA-N
MW279.75 g/mol
LogP3.01
Rot. Bonds4

About N-[2-(4-chlorophenyl)-2-oxoethyl]thiophene-2-carboxamide

N-[2-(4-chlorophenyl)-2-oxoethyl]thiophene-2-carboxamide (PubChem CID 856372) has the molecular formula C13H10ClNO2S and a molecular weight of 279.75 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)-2-oxoethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)-2-oxoethyl]thiophene-2-carboxamide
PubChem CID856372
Molecular FormulaC13H10ClNO2S
Molecular Weight279.75 g/mol
Exact Mass279.01
IUPAC NameN-[2-(4-chlorophenyl)-2-oxoethyl]thiophene-2-carboxamide
SMILESO=C(CNC(=O)c1cccs1)c1ccc(Cl)cc1
InChIInChI=1S/C13H10ClNO2S/c14-10-5-3-9(4-6-10)11(16)8-15-13(17)12-2-1-7-18-12/h1-7H,8H2,(H,15,17)
InChIKeyZHYJJRIEDLACNO-UHFFFAOYSA-N
XLogP3.01
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.75
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)-2-oxoethyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-(4-chlorophenyl)-2-oxoethyl]thiophene-2-carboxamide (CID 856372) is N-[2-(4-chlorophenyl)-2-oxoethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)-2-oxoethyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-(4-chlorophenyl)-2-oxoethyl]thiophene-2-carboxamide is O=C(CNC(=O)c1cccs1)c1ccc(Cl)cc1.
What is the InChIKey of N-[2-(4-chlorophenyl)-2-oxoethyl]thiophene-2-carboxamide?
The InChIKey is ZHYJJRIEDLACNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClNO2S/c14-10-5-3-9(4-6-10)11(16)8-15-13(17)12-2-1-7-18-12/h1-7H,8H2,(H,15,17).
What are the key properties of N-[2-(4-chlorophenyl)-2-oxoethyl]thiophene-2-carboxamide?
N-[2-(4-chlorophenyl)-2-oxoethyl]thiophene-2-carboxamide has a molecular weight of 279.75 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)-2-oxoethyl]thiophene-2-carboxamide is sourced from PubChem (CID 856372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).