5-chloro-N-(2-methylsulfanylphenyl)thiophene-2-carboxamide

C12H10ClNOS2 — CID 1245556

IUPAC5-chloro-N-(2-methylsulfanylphenyl)thiophene-2-carboxamide
SMILESCSc1ccccc1NC(=O)c1ccc(Cl)s1
InChIInChI=1S/C12H10ClNOS2/c1-16-9-5-3-2-4-8(9)14-12(15)10-6-7-11(13)17-10/h2-7H,1H3,(H,14,15)
InChIKeyVCXTVZQCWGYYDA-UHFFFAOYSA-N
MW283.81 g/mol
LogP4.38
Rot. Bonds3

About 5-chloro-N-(2-methylsulfanylphenyl)thiophene-2-carboxamide

5-chloro-N-(2-methylsulfanylphenyl)thiophene-2-carboxamide (PubChem CID 1245556) has the molecular formula C12H10ClNOS2 and a molecular weight of 283.81 g/mol. Its IUPAC name is 5-chloro-N-(2-methylsulfanylphenyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(2-methylsulfanylphenyl)thiophene-2-carboxamide
PubChem CID1245556
Molecular FormulaC12H10ClNOS2
Molecular Weight283.81 g/mol
Exact Mass282.99
IUPAC Name5-chloro-N-(2-methylsulfanylphenyl)thiophene-2-carboxamide
SMILESCSc1ccccc1NC(=O)c1ccc(Cl)s1
InChIInChI=1S/C12H10ClNOS2/c1-16-9-5-3-2-4-8(9)14-12(15)10-6-7-11(13)17-10/h2-7H,1H3,(H,14,15)
InChIKeyVCXTVZQCWGYYDA-UHFFFAOYSA-N
XLogP4.38
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.81
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 736373
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CID 728651
N-(3-chlorophenyl)thiophene-2-carboxamide
CID 531925
N-(4-Fluorophenyl)-2-thiophenecarboxamide
CID 531923
N1-(4-chlorophenyl)-2-(2-thienylthio)acetamide
CID 2819664
2,5-dichloro-N-(2,4-difluorophenyl)thiophene-3-carboxamide
CID 2805353
N-(2-chlorophenyl)thiophene-2-carboxamide
CID 652985
N-(5-chlorothiophen-3-yl)benzamide
CID 901515
2,5-dichloro-N-(2-(methylthio)phenyl)thiophene-3-carboxamide
CID 2805358
N-(4-chlorophenyl)-2-(thiophen-2-yl)acetamide
CID 669817
N-(3-chloro-4-pyrrolidin-1-ylphenyl)thiophene-2-carboxamide
CID 806954

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2-methylsulfanylphenyl)thiophene-2-carboxamide?
The IUPAC name of 5-chloro-N-(2-methylsulfanylphenyl)thiophene-2-carboxamide (CID 1245556) is 5-chloro-N-(2-methylsulfanylphenyl)thiophene-2-carboxamide.
What is the SMILES notation for 5-chloro-N-(2-methylsulfanylphenyl)thiophene-2-carboxamide?
The canonical SMILES for 5-chloro-N-(2-methylsulfanylphenyl)thiophene-2-carboxamide is CSc1ccccc1NC(=O)c1ccc(Cl)s1.
What is the InChIKey of 5-chloro-N-(2-methylsulfanylphenyl)thiophene-2-carboxamide?
The InChIKey is VCXTVZQCWGYYDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClNOS2/c1-16-9-5-3-2-4-8(9)14-12(15)10-6-7-11(13)17-10/h2-7H,1H3,(H,14,15).
What are the key properties of 5-chloro-N-(2-methylsulfanylphenyl)thiophene-2-carboxamide?
5-chloro-N-(2-methylsulfanylphenyl)thiophene-2-carboxamide has a molecular weight of 283.81 g/mol, XLogP of 4.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2-methylsulfanylphenyl)thiophene-2-carboxamide is sourced from PubChem (CID 1245556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).