5-[[2-(4-methoxyphenyl)sulfanylacetyl]amino]thiophene-2-carboxylic acid

C14H13NO4S2 — CID 43474650

IUPAC5-[[2-(4-methoxyphenyl)sulfanylacetyl]amino]thiophene-2-carboxylic acid
SMILESCOc1ccc(SCC(=O)Nc2ccc(C(=O)O)s2)cc1
InChIInChI=1S/C14H13NO4S2/c1-19-9-2-4-10(5-3-9)20-8-12(16)15-13-7-6-11(21-13)14(17)18/h2-7H,8H2,1H3,(H,15,16)(H,17,18)
InChIKeyPLWBNVPTSMZJSV-UHFFFAOYSA-N
MW323.40 g/mol
LogP3.19
Rot. Bonds6

About 5-[[2-(4-methoxyphenyl)sulfanylacetyl]amino]thiophene-2-carboxylic acid

5-[[2-(4-methoxyphenyl)sulfanylacetyl]amino]thiophene-2-carboxylic acid (PubChem CID 43474650) has the molecular formula C14H13NO4S2 and a molecular weight of 323.40 g/mol. Its IUPAC name is 5-[[2-(4-methoxyphenyl)sulfanylacetyl]amino]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-[[2-(4-methoxyphenyl)sulfanylacetyl]amino]thiophene-2-carboxylic acid
PubChem CID43474650
Molecular FormulaC14H13NO4S2
Molecular Weight323.40 g/mol
Exact Mass323.03
IUPAC Name5-[[2-(4-methoxyphenyl)sulfanylacetyl]amino]thiophene-2-carboxylic acid
SMILESCOc1ccc(SCC(=O)Nc2ccc(C(=O)O)s2)cc1
InChIInChI=1S/C14H13NO4S2/c1-19-9-2-4-10(5-3-9)20-8-12(16)15-13-7-6-11(21-13)14(17)18/h2-7H,8H2,1H3,(H,15,16)(H,17,18)
InChIKeyPLWBNVPTSMZJSV-UHFFFAOYSA-N
XLogP3.19
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[2-(4-methoxyphenyl)sulfanylacetyl]amino]benzoic acid
CID 47094711
ethyl 5-[[2-(4-methoxyphenyl)sulfanylacetyl]amino]-3-methylthiophene-2-carboxylate
CID 41320597
5-[[2-(2,5-dimethylphenyl)sulfanylacetyl]amino]thiophene-2-carboxylic acid
CID 43474487
2-(4-methoxyphenyl)sulfanyl-N-[4-(phenylsulfanylmethyl)phenyl]acetamide
CID 28565140
2-(4-aminophenyl)sulfanyl-N-(4-methoxyphenyl)acetamide
CID 3846730
N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(4-methoxyphenyl)sulfanylacetamide
CID 30996869
N-(2,5-dimethoxyphenyl)-2-(4-methoxyphenyl)sulfanylacetamide
CID 8907113
5-(4-methoxyphenyl)sulfanylthiophene-2-carboxylic acid
CID 21162525
2-[[2-(4-methoxyphenyl)sulfanylacetyl]amino]propanoic acid
CID 43241779
N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-2-(4-methoxyphenyl)sulfanylacetamide
CID 18586093
N-(4,7-dichloro-1,3-benzothiazol-2-yl)-2-(4-methoxyphenyl)sulfanylacetamide
CID 41320653
2-(4-methoxyphenyl)sulfanyl-N-[(2-methylpropan-2-yl)oxy]acetamide
CID 82724032

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(4-methoxyphenyl)sulfanylacetyl]amino]thiophene-2-carboxylic acid?
The IUPAC name of 5-[[2-(4-methoxyphenyl)sulfanylacetyl]amino]thiophene-2-carboxylic acid (CID 43474650) is 5-[[2-(4-methoxyphenyl)sulfanylacetyl]amino]thiophene-2-carboxylic acid.
What is the SMILES notation for 5-[[2-(4-methoxyphenyl)sulfanylacetyl]amino]thiophene-2-carboxylic acid?
The canonical SMILES for 5-[[2-(4-methoxyphenyl)sulfanylacetyl]amino]thiophene-2-carboxylic acid is COc1ccc(SCC(=O)Nc2ccc(C(=O)O)s2)cc1.
What is the InChIKey of 5-[[2-(4-methoxyphenyl)sulfanylacetyl]amino]thiophene-2-carboxylic acid?
The InChIKey is PLWBNVPTSMZJSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO4S2/c1-19-9-2-4-10(5-3-9)20-8-12(16)15-13-7-6-11(21-13)14(17)18/h2-7H,8H2,1H3,(H,15,16)(H,17,18).
What are the key properties of 5-[[2-(4-methoxyphenyl)sulfanylacetyl]amino]thiophene-2-carboxylic acid?
5-[[2-(4-methoxyphenyl)sulfanylacetyl]amino]thiophene-2-carboxylic acid has a molecular weight of 323.40 g/mol, XLogP of 3.19, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(4-methoxyphenyl)sulfanylacetyl]amino]thiophene-2-carboxylic acid is sourced from PubChem (CID 43474650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).