2-[[2-(2-chlorophenyl)sulfanylacetyl]amino]thiophene-3-carboxylic acid

C13H10ClNO3S2 — CID 43171489

IUPAC2-[[2-(2-chlorophenyl)sulfanylacetyl]amino]thiophene-3-carboxylic acid
SMILESO=C(CSc1ccccc1Cl)Nc1sccc1C(=O)O
InChIInChI=1S/C13H10ClNO3S2/c14-9-3-1-2-4-10(9)20-7-11(16)15-12-8(13(17)18)5-6-19-12/h1-6H,7H2,(H,15,16)(H,17,18)
InChIKeyKQYUQWUAFBLLDN-UHFFFAOYSA-N
MW327.81 g/mol
LogP3.83
Rot. Bonds5

About 2-[[2-(2-chlorophenyl)sulfanylacetyl]amino]thiophene-3-carboxylic acid

2-[[2-(2-chlorophenyl)sulfanylacetyl]amino]thiophene-3-carboxylic acid (PubChem CID 43171489) has the molecular formula C13H10ClNO3S2 and a molecular weight of 327.81 g/mol. Its IUPAC name is 2-[[2-(2-chlorophenyl)sulfanylacetyl]amino]thiophene-3-carboxylic acid.

Molecular Properties

Compound Name2-[[2-(2-chlorophenyl)sulfanylacetyl]amino]thiophene-3-carboxylic acid
PubChem CID43171489
Molecular FormulaC13H10ClNO3S2
Molecular Weight327.81 g/mol
Exact Mass326.98
IUPAC Name2-[[2-(2-chlorophenyl)sulfanylacetyl]amino]thiophene-3-carboxylic acid
SMILESO=C(CSc1ccccc1Cl)Nc1sccc1C(=O)O
InChIInChI=1S/C13H10ClNO3S2/c14-9-3-1-2-4-10(9)20-7-11(16)15-12-8(13(17)18)5-6-19-12/h1-6H,7H2,(H,15,16)(H,17,18)
InChIKeyKQYUQWUAFBLLDN-UHFFFAOYSA-N
XLogP3.83
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.81
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-(2-aminophenyl)sulfanylacetyl]amino]thiophene-3-carboxamide
CID 43249185
N-(2-chlorophenyl)-2-(2-chlorophenyl)sulfanylacetamide
CID 2498952
2-(2-chlorophenyl)sulfanyl-N-(2,3-dichlorophenyl)acetamide
CID 4001438
2-benzamidothiophene-3-carboxylic acid
CID 16639461
5-[[2-(2-carboxyphenyl)sulfanylacetyl]amino]-2-chlorobenzoic acid
CID 5303183
2-(2-chlorophenyl)sulfanyl-N-(2-pyrrolidin-1-ylphenyl)acetamide
CID 35358026
methyl 2-[[2-(2-chlorophenyl)sulfanylacetyl]amino]benzoate
CID 2554185
2-[[2-[2-(N-methylanilino)-2-oxoethyl]sulfanylacetyl]amino]thiophene-3-carboxylic acid
CID 166396233
2-(2-chlorophenyl)sulfanyl-N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]acetamide
CID 4830075
N-butan-2-yl-2-(2-chlorophenyl)sulfanylacetamide
CID 60624641
2-(2-chlorophenyl)sulfanyl-N-(2-piperidin-1-ylphenyl)acetamide
CID 112789398
2-(2-chlorophenyl)sulfanyl-N-cyanoacetamide
CID 79194235

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-chlorophenyl)sulfanylacetyl]amino]thiophene-3-carboxylic acid?
The IUPAC name of 2-[[2-(2-chlorophenyl)sulfanylacetyl]amino]thiophene-3-carboxylic acid (CID 43171489) is 2-[[2-(2-chlorophenyl)sulfanylacetyl]amino]thiophene-3-carboxylic acid.
What is the SMILES notation for 2-[[2-(2-chlorophenyl)sulfanylacetyl]amino]thiophene-3-carboxylic acid?
The canonical SMILES for 2-[[2-(2-chlorophenyl)sulfanylacetyl]amino]thiophene-3-carboxylic acid is O=C(CSc1ccccc1Cl)Nc1sccc1C(=O)O.
What is the InChIKey of 2-[[2-(2-chlorophenyl)sulfanylacetyl]amino]thiophene-3-carboxylic acid?
The InChIKey is KQYUQWUAFBLLDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClNO3S2/c14-9-3-1-2-4-10(9)20-7-11(16)15-12-8(13(17)18)5-6-19-12/h1-6H,7H2,(H,15,16)(H,17,18).
What are the key properties of 2-[[2-(2-chlorophenyl)sulfanylacetyl]amino]thiophene-3-carboxylic acid?
2-[[2-(2-chlorophenyl)sulfanylacetyl]amino]thiophene-3-carboxylic acid has a molecular weight of 327.81 g/mol, XLogP of 3.83, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-chlorophenyl)sulfanylacetyl]amino]thiophene-3-carboxylic acid is sourced from PubChem (CID 43171489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).