2-[5-(4-chlorobenzoyl)thiophen-2-yl]acetamide

C13H10ClNO2S — CID 1486758

IUPAC2-[5-(4-chlorobenzoyl)thiophen-2-yl]acetamide
SMILESNC(=O)Cc1ccc(C(=O)c2ccc(Cl)cc2)s1
InChIInChI=1S/C13H10ClNO2S/c14-9-3-1-8(2-4-9)13(17)11-6-5-10(18-11)7-12(15)16/h1-6H,7H2,(H2,15,16)
InChIKeyKWXLJKBBACCJRI-UHFFFAOYSA-N
MW279.75 g/mol
LogP2.66
Rot. Bonds4

About 2-[5-(4-chlorobenzoyl)thiophen-2-yl]acetamide

2-[5-(4-chlorobenzoyl)thiophen-2-yl]acetamide (PubChem CID 1486758) has the molecular formula C13H10ClNO2S and a molecular weight of 279.75 g/mol. Its IUPAC name is 2-[5-(4-chlorobenzoyl)thiophen-2-yl]acetamide.

Molecular Properties

Compound Name2-[5-(4-chlorobenzoyl)thiophen-2-yl]acetamide
PubChem CID1486758
Molecular FormulaC13H10ClNO2S
Molecular Weight279.75 g/mol
Exact Mass279.01
IUPAC Name2-[5-(4-chlorobenzoyl)thiophen-2-yl]acetamide
SMILESNC(=O)Cc1ccc(C(=O)c2ccc(Cl)cc2)s1
InChIInChI=1S/C13H10ClNO2S/c14-9-3-1-8(2-4-9)13(17)11-6-5-10(18-11)7-12(15)16/h1-6H,7H2,(H2,15,16)
InChIKeyKWXLJKBBACCJRI-UHFFFAOYSA-N
XLogP2.66
TPSA60.16 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 ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-(4-Chlorophenyl)-2-thienyl)ethanone
CID 2763587
2-[5-(2-Fluorobenzoyl)thiophen-2-yl]acetamide
CID 1486760
2-[5-(4-Fluorobenzoyl)thiophen-2-yl]acetamide
CID 1486761
2-[5-(2,4-Dichlorobenzoyl)thiophen-2-yl]acetamide
CID 1488530
(2-Amino-3-thienyl)(4-chlorophenyl)methanone
CID 654924
5-(4-Chlorophenyl)thiophene-2-carboxamide
CID 613585
(4-Chlorophenyl)(thiophen-3-yl)methanone
CID 15812442
2-(5-Benzoyl-2-thienyl)acetamide
CID 1486756
4-Chloro-benzoic acid N'-(thiophene-2-carbonyl)-hydrazide
CID 809170
N-[(4-chlorophenyl)methyl]-4-oxo-4-thiophen-2-ylbutanamide
CID 2379413
2-Propen-1-one, 2-(4-chlorophenyl)-1-(2-thienyl)-
CID 3007405
1-(4-Chlorophenyl)-3-(2-thienyl)prop-2-en-1-one
CID 5376057

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-chlorobenzoyl)thiophen-2-yl]acetamide?
The IUPAC name of 2-[5-(4-chlorobenzoyl)thiophen-2-yl]acetamide (CID 1486758) is 2-[5-(4-chlorobenzoyl)thiophen-2-yl]acetamide.
What is the SMILES notation for 2-[5-(4-chlorobenzoyl)thiophen-2-yl]acetamide?
The canonical SMILES for 2-[5-(4-chlorobenzoyl)thiophen-2-yl]acetamide is NC(=O)Cc1ccc(C(=O)c2ccc(Cl)cc2)s1.
What is the InChIKey of 2-[5-(4-chlorobenzoyl)thiophen-2-yl]acetamide?
The InChIKey is KWXLJKBBACCJRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClNO2S/c14-9-3-1-8(2-4-9)13(17)11-6-5-10(18-11)7-12(15)16/h1-6H,7H2,(H2,15,16).
What are the key properties of 2-[5-(4-chlorobenzoyl)thiophen-2-yl]acetamide?
2-[5-(4-chlorobenzoyl)thiophen-2-yl]acetamide has a molecular weight of 279.75 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-chlorobenzoyl)thiophen-2-yl]acetamide is sourced from PubChem (CID 1486758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).