1-(thiophene-2-carbonyl)indole-3-carboxylic acid

C14H9NO3S — CID 82488295

IUPAC1-(thiophene-2-carbonyl)indole-3-carboxylic acid
SMILESO=C(O)c1cn(C(=O)c2cccs2)c2ccccc12
InChIInChI=1S/C14H9NO3S/c16-13(12-6-3-7-19-12)15-8-10(14(17)18)9-4-1-2-5-11(9)15/h1-8H,(H,17,18)
InChIKeyKDVHNOOLGGGOLS-UHFFFAOYSA-N
MW271.30 g/mol
LogP3.09
Rot. Bonds2

About 1-(thiophene-2-carbonyl)indole-3-carboxylic acid

1-(thiophene-2-carbonyl)indole-3-carboxylic acid (PubChem CID 82488295) has the molecular formula C14H9NO3S and a molecular weight of 271.30 g/mol. Its IUPAC name is 1-(thiophene-2-carbonyl)indole-3-carboxylic acid.

Molecular Properties

Compound Name1-(thiophene-2-carbonyl)indole-3-carboxylic acid
PubChem CID82488295
Molecular FormulaC14H9NO3S
Molecular Weight271.30 g/mol
Exact Mass271.03
IUPAC Name1-(thiophene-2-carbonyl)indole-3-carboxylic acid
SMILESO=C(O)c1cn(C(=O)c2cccs2)c2ccccc12
InChIInChI=1S/C14H9NO3S/c16-13(12-6-3-7-19-12)15-8-10(14(17)18)9-4-1-2-5-11(9)15/h1-8H,(H,17,18)
InChIKeyKDVHNOOLGGGOLS-UHFFFAOYSA-N
XLogP3.09
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.30
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzyl-1H-indole-3-carboxylic acid
CID 33671
4,5,6,7-Tetrahydro-2-(1H-pyrrol-1-yl)benzo(b)thiophene-3-carboxylic acid
CID 913166
1-Methylindole-3-carboxylic acid
CID 854040
methyl 1-{2-oxo-2-[(2-thienylmethyl)amino]ethyl}-1H-indole-3-carboxylate
CID 952050
3-Cyclohexyl-1-[2-(dimethylamino)-2-oxo-ethyl]-2-(3-thienyl)indole-6-carboxylic acid
CID 10001609
3-[4-(1-thiophen-2-ylmethyl-1H-indol-3-yl)piperidin-1-ylmethyl]benzoic acid
CID 10202996
3-(3-oxo-1H-pyrazolo[4,3-c]quinolin-2-yl)thiophene-2-carboxylic acid
CID 13909305
1-Ethyl-5-[4-(pyrrolidin-1-ylmethyl)-1,3-thiazol-2-yl]indole-3-carboxylic acid
CID 162658959
5-[1-[2,6-Bis(methylsulfanyl)-4-pyridinyl]ethenyl]-1-methylindole-3-carboxylic acid
CID 162659862
1-(prop-2-en-1-yl)-1H-indole-3-carboxylic acid
CID 28599882
[3-(2-thienylcarbonyl)-1H-indol-1-yl]acetic acid
CID 2212703
3-Cyclohexyl-1-[2-(dimethylamino)-2-oxo-ethyl]-2-(2-thienyl)indole-6-carboxylic acid
CID 11429783

Frequently Asked Questions

What is the IUPAC name of 1-(thiophene-2-carbonyl)indole-3-carboxylic acid?
The IUPAC name of 1-(thiophene-2-carbonyl)indole-3-carboxylic acid (CID 82488295) is 1-(thiophene-2-carbonyl)indole-3-carboxylic acid.
What is the SMILES notation for 1-(thiophene-2-carbonyl)indole-3-carboxylic acid?
The canonical SMILES for 1-(thiophene-2-carbonyl)indole-3-carboxylic acid is O=C(O)c1cn(C(=O)c2cccs2)c2ccccc12.
What is the InChIKey of 1-(thiophene-2-carbonyl)indole-3-carboxylic acid?
The InChIKey is KDVHNOOLGGGOLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9NO3S/c16-13(12-6-3-7-19-12)15-8-10(14(17)18)9-4-1-2-5-11(9)15/h1-8H,(H,17,18).
What are the key properties of 1-(thiophene-2-carbonyl)indole-3-carboxylic acid?
1-(thiophene-2-carbonyl)indole-3-carboxylic acid has a molecular weight of 271.30 g/mol, XLogP of 3.09, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(thiophene-2-carbonyl)indole-3-carboxylic acid is sourced from PubChem (CID 82488295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).