5-[[2-(thiophen-2-ylmethylsulfanyl)acetyl]amino]thiophene-2-carboxylic acid

C12H11NO3S3 — CID 43474533

IUPAC5-[[2-(thiophen-2-ylmethylsulfanyl)acetyl]amino]thiophene-2-carboxylic acid
SMILESO=C(CSCc1cccs1)Nc1ccc(C(=O)O)s1
InChIInChI=1S/C12H11NO3S3/c14-10(7-17-6-8-2-1-5-18-8)13-11-4-3-9(19-11)12(15)16/h1-5H,6-7H2,(H,13,14)(H,15,16)
InChIKeyLTJFIEWRVLJVGK-UHFFFAOYSA-N
MW313.43 g/mol
LogP3.38
Rot. Bonds6

About 5-[[2-(thiophen-2-ylmethylsulfanyl)acetyl]amino]thiophene-2-carboxylic acid

5-[[2-(thiophen-2-ylmethylsulfanyl)acetyl]amino]thiophene-2-carboxylic acid (PubChem CID 43474533) has the molecular formula C12H11NO3S3 and a molecular weight of 313.43 g/mol. Its IUPAC name is 5-[[2-(thiophen-2-ylmethylsulfanyl)acetyl]amino]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-[[2-(thiophen-2-ylmethylsulfanyl)acetyl]amino]thiophene-2-carboxylic acid
PubChem CID43474533
Molecular FormulaC12H11NO3S3
Molecular Weight313.43 g/mol
Exact Mass312.99
IUPAC Name5-[[2-(thiophen-2-ylmethylsulfanyl)acetyl]amino]thiophene-2-carboxylic acid
SMILESO=C(CSCc1cccs1)Nc1ccc(C(=O)O)s1
InChIInChI=1S/C12H11NO3S3/c14-10(7-17-6-8-2-1-5-18-8)13-11-4-3-9(19-11)12(15)16/h1-5H,6-7H2,(H,13,14)(H,15,16)
InChIKeyLTJFIEWRVLJVGK-UHFFFAOYSA-N
XLogP3.38
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.43
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[[2-[(4-methylphenyl)methylsulfanyl]acetyl]amino]thiophene-2-carboxylic acid
CID 43474328
3-[[2-(thiophen-2-ylmethylsulfanyl)acetyl]amino]thiophene-2-carboxylic acid
CID 43358114
N-methyl-2-(thiophen-2-ylmethylsulfanyl)acetamide
CID 60645758
3-[[2-(thiophen-2-ylmethylsulfanyl)acetyl]amino]pyridine-2-carboxylic acid
CID 104740347
methyl 4-[[2-(thiophen-2-ylmethylsulfanyl)acetyl]amino]benzoate
CID 4256520
2-(thiophen-2-ylmethylsulfanyl)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 3378077
5-fluoro-2-[[2-(thiophen-2-ylmethylsulfanyl)acetyl]amino]benzoic acid
CID 43359635
N-(4-methyl-1H-pyrazol-5-yl)-2-(thiophen-2-ylmethylsulfanyl)acetamide
CID 112691386
(2R)-2-[[2-(thiophen-2-ylmethylsulfanyl)acetyl]amino]propanoic acid
CID 78972918
N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-(thiophen-2-ylmethylsulfanyl)acetamide
CID 4190979
N-[1-(hydroxymethyl)cyclopropyl]-2-(thiophen-2-ylmethylsulfanyl)acetamide
CID 115877656
3-[[2-(thiophen-2-ylmethylsulfanyl)acetyl]amino]benzamide
CID 25431782

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(thiophen-2-ylmethylsulfanyl)acetyl]amino]thiophene-2-carboxylic acid?
The IUPAC name of 5-[[2-(thiophen-2-ylmethylsulfanyl)acetyl]amino]thiophene-2-carboxylic acid (CID 43474533) is 5-[[2-(thiophen-2-ylmethylsulfanyl)acetyl]amino]thiophene-2-carboxylic acid.
What is the SMILES notation for 5-[[2-(thiophen-2-ylmethylsulfanyl)acetyl]amino]thiophene-2-carboxylic acid?
The canonical SMILES for 5-[[2-(thiophen-2-ylmethylsulfanyl)acetyl]amino]thiophene-2-carboxylic acid is O=C(CSCc1cccs1)Nc1ccc(C(=O)O)s1.
What is the InChIKey of 5-[[2-(thiophen-2-ylmethylsulfanyl)acetyl]amino]thiophene-2-carboxylic acid?
The InChIKey is LTJFIEWRVLJVGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO3S3/c14-10(7-17-6-8-2-1-5-18-8)13-11-4-3-9(19-11)12(15)16/h1-5H,6-7H2,(H,13,14)(H,15,16).
What are the key properties of 5-[[2-(thiophen-2-ylmethylsulfanyl)acetyl]amino]thiophene-2-carboxylic acid?
5-[[2-(thiophen-2-ylmethylsulfanyl)acetyl]amino]thiophene-2-carboxylic acid has a molecular weight of 313.43 g/mol, XLogP of 3.38, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(thiophen-2-ylmethylsulfanyl)acetyl]amino]thiophene-2-carboxylic acid is sourced from PubChem (CID 43474533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).