1-(4-methylthiophene-3-carbonyl)-2,3-dihydroindole-3-carboxylic acid

C15H13NO3S — CID 80565160

IUPAC1-(4-methylthiophene-3-carbonyl)-2,3-dihydroindole-3-carboxylic acid
SMILESCc1cscc1C(=O)N1CC(C(=O)O)c2ccccc21
InChIInChI=1S/C15H13NO3S/c1-9-7-20-8-12(9)14(17)16-6-11(15(18)19)10-4-2-3-5-13(10)16/h2-5,7-8,11H,6H2,1H3,(H,18,19)
InChIKeyDTIBQAMQRZRZIM-UHFFFAOYSA-N
MW287.34 g/mol
LogP2.89
Rot. Bonds2

About 1-(4-methylthiophene-3-carbonyl)-2,3-dihydroindole-3-carboxylic acid

1-(4-methylthiophene-3-carbonyl)-2,3-dihydroindole-3-carboxylic acid (PubChem CID 80565160) has the molecular formula C15H13NO3S and a molecular weight of 287.34 g/mol. Its IUPAC name is 1-(4-methylthiophene-3-carbonyl)-2,3-dihydroindole-3-carboxylic acid.

Molecular Properties

Compound Name1-(4-methylthiophene-3-carbonyl)-2,3-dihydroindole-3-carboxylic acid
PubChem CID80565160
Molecular FormulaC15H13NO3S
Molecular Weight287.34 g/mol
Exact Mass287.06
IUPAC Name1-(4-methylthiophene-3-carbonyl)-2,3-dihydroindole-3-carboxylic acid
SMILESCc1cscc1C(=O)N1CC(C(=O)O)c2ccccc21
InChIInChI=1S/C15H13NO3S/c1-9-7-20-8-12(9)14(17)16-6-11(15(18)19)10-4-2-3-5-13(10)16/h2-5,7-8,11H,6H2,1H3,(H,18,19)
InChIKeyDTIBQAMQRZRZIM-UHFFFAOYSA-N
XLogP2.89
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(N-methylthiophene-2-amido)benzoic acid
CID 750789
1-methyl-3-[2-oxo-2-(2-thienyl)ethylidene]-1,3-dihydro-2H-indol-2-one
CID 2199895
(3Z)-3-[2-oxo-2-(thiophen-2-yl)ethylidene]-1-propyl-1,3-dihydro-2H-indol-2-one
CID 2203694
1-(4-Methylphenyl)-5-oxo-2-(thiophen-2-yl)pyrrolidine-3-carboxylic acid
CID 3720435
3-[(6-Fluoro-2,3-dioxoindol-1-yl)methyl]thiophene-2-carboxylic acid
CID 63639356
3-[(5-Fluoro-2,3-dioxoindol-1-yl)methyl]thiophene-2-carboxylic acid
CID 63639688
5-(6-Fluoro-2,3-dihydroindole-1-carbonyl)thiophene-2-carboxylic acid
CID 103925960
1-[2-(Trifluoromethylsulfanyl)acetyl]-2,3-dihydroindole-3-carboxylic acid
CID 120691185
1-[2-(2,2,2-Trifluoroethylsulfanyl)acetyl]-2,3-dihydroindole-3-carboxylic acid
CID 120691225
1-[3-(4-Fluorophenyl)sulfanyl-2-methylpropanoyl]-2,3-dihydroindole-3-carboxylic acid
CID 120691242
5-(5,6-Difluoro-2,3-dihydroindole-1-carbonyl)thiophene-2-carboxylic acid
CID 154800655
1-Methyl-3-(2-oxo-2-thiophen-2-ylethylidene)indol-2-one
CID 976236

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylthiophene-3-carbonyl)-2,3-dihydroindole-3-carboxylic acid?
The IUPAC name of 1-(4-methylthiophene-3-carbonyl)-2,3-dihydroindole-3-carboxylic acid (CID 80565160) is 1-(4-methylthiophene-3-carbonyl)-2,3-dihydroindole-3-carboxylic acid.
What is the SMILES notation for 1-(4-methylthiophene-3-carbonyl)-2,3-dihydroindole-3-carboxylic acid?
The canonical SMILES for 1-(4-methylthiophene-3-carbonyl)-2,3-dihydroindole-3-carboxylic acid is Cc1cscc1C(=O)N1CC(C(=O)O)c2ccccc21.
What is the InChIKey of 1-(4-methylthiophene-3-carbonyl)-2,3-dihydroindole-3-carboxylic acid?
The InChIKey is DTIBQAMQRZRZIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO3S/c1-9-7-20-8-12(9)14(17)16-6-11(15(18)19)10-4-2-3-5-13(10)16/h2-5,7-8,11H,6H2,1H3,(H,18,19).
What are the key properties of 1-(4-methylthiophene-3-carbonyl)-2,3-dihydroindole-3-carboxylic acid?
1-(4-methylthiophene-3-carbonyl)-2,3-dihydroindole-3-carboxylic acid has a molecular weight of 287.34 g/mol, XLogP of 2.89, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylthiophene-3-carbonyl)-2,3-dihydroindole-3-carboxylic acid is sourced from PubChem (CID 80565160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).