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

C15H13NO3S — CID 124574107

IUPAC(3S)-1-(4-methylthiophene-3-carbonyl)-2,3-dihydroindole-3-carboxylic acid
SMILESCc1cscc1C(=O)N1C[C@@H](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)/t11-/m1/s1
InChIKeyDTIBQAMQRZRZIM-LLVKDONJSA-N
MW287.34 g/mol
LogP2.89
Rot. Bonds2

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

(3S)-1-(4-methylthiophene-3-carbonyl)-2,3-dihydroindole-3-carboxylic acid (PubChem CID 124574107) has the molecular formula C15H13NO3S and a molecular weight of 287.34 g/mol. Its IUPAC name is (3S)-1-(4-methylthiophene-3-carbonyl)-2,3-dihydroindole-3-carboxylic acid.

Molecular Properties

Compound Name(3S)-1-(4-methylthiophene-3-carbonyl)-2,3-dihydroindole-3-carboxylic acid
PubChem CID124574107
Molecular FormulaC15H13NO3S
Molecular Weight287.34 g/mol
Exact Mass287.06
IUPAC Name(3S)-1-(4-methylthiophene-3-carbonyl)-2,3-dihydroindole-3-carboxylic acid
SMILESCc1cscc1C(=O)N1C[C@@H](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)/t11-/m1/s1
InChIKeyDTIBQAMQRZRZIM-LLVKDONJSA-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

Analyze (3S)-1-(4-methylthiophene-3-carbonyl)-2,3-dihydroindole-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-methylthiophene-3-carbonyl)-2,3-dihydroindole-3-carboxylic acid
CID 80565160
(3S)-1-(2,5-dimethylthiophene-3-carbonyl)-2,3-dihydroindole-3-carboxylic acid
CID 124574032
(3R)-1-(2,5-dimethylthiophene-3-carbonyl)-2,3-dihydroindole-3-carboxylic acid
CID 124574031
1-(2-bromobenzoyl)-2,3-dihydroindole-3-carboxylic acid
CID 80564888
[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-(4-methylthiophen-3-yl)methanone
CID 79808318
1-(4,5-dimethylthiophene-2-carbonyl)-2,3-dihydroindole-3-carboxylic acid
CID 80564421
(3S)-1-(2,5-dimethylfuran-3-carbonyl)-2,3-dihydroindole-3-carboxylic acid
CID 124574042
(3S)-1-(3-methylfuran-2-carbonyl)-2,3-dihydroindole-3-carboxylic acid
CID 124574082
1-(2,5-dichlorothiophene-3-carbonyl)-2,3-dihydroindole-3-carboxylic acid
CID 107959682
1-(2-methylquinoline-4-carbonyl)-2,3-dihydroindole-3-carboxylic acid
CID 120691663
1-(5-ethyl-4-methylthiophene-2-carbonyl)-2,3-dihydroindole-3-carboxylic acid
CID 120691318
1-(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)-2,3-dihydroindole-3-carboxylic acid
CID 120691690

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(4-methylthiophene-3-carbonyl)-2,3-dihydroindole-3-carboxylic acid?
The IUPAC name of (3S)-1-(4-methylthiophene-3-carbonyl)-2,3-dihydroindole-3-carboxylic acid (CID 124574107) is (3S)-1-(4-methylthiophene-3-carbonyl)-2,3-dihydroindole-3-carboxylic acid.
What is the SMILES notation for (3S)-1-(4-methylthiophene-3-carbonyl)-2,3-dihydroindole-3-carboxylic acid?
The canonical SMILES for (3S)-1-(4-methylthiophene-3-carbonyl)-2,3-dihydroindole-3-carboxylic acid is Cc1cscc1C(=O)N1C[C@@H](C(=O)O)c2ccccc21.
What is the InChIKey of (3S)-1-(4-methylthiophene-3-carbonyl)-2,3-dihydroindole-3-carboxylic acid?
The InChIKey is DTIBQAMQRZRZIM-LLVKDONJSA-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)/t11-/m1/s1.
What are the key properties of (3S)-1-(4-methylthiophene-3-carbonyl)-2,3-dihydroindole-3-carboxylic acid?
(3S)-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 (3S)-1-(4-methylthiophene-3-carbonyl)-2,3-dihydroindole-3-carboxylic acid is sourced from PubChem (CID 124574107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).