1-(5-ethyl-4-methylthiophene-2-carbonyl)-2,3-dihydroindole-3-carboxylic acid

C17H17NO3S — CID 120691318

IUPAC1-(5-ethyl-4-methylthiophene-2-carbonyl)-2,3-dihydroindole-3-carboxylic acid
SMILESCCc1sc(C(=O)N2CC(C(=O)O)c3ccccc32)cc1C
InChIInChI=1S/C17H17NO3S/c1-3-14-10(2)8-15(22-14)16(19)18-9-12(17(20)21)11-6-4-5-7-13(11)18/h4-8,12H,3,9H2,1-2H3,(H,20,21)
InChIKeyMNXYUEZUESYOTF-UHFFFAOYSA-N
MW315.39 g/mol
LogP3.45
Rot. Bonds3

About 1-(5-ethyl-4-methylthiophene-2-carbonyl)-2,3-dihydroindole-3-carboxylic acid

1-(5-ethyl-4-methylthiophene-2-carbonyl)-2,3-dihydroindole-3-carboxylic acid (PubChem CID 120691318) has the molecular formula C17H17NO3S and a molecular weight of 315.39 g/mol. Its IUPAC name is 1-(5-ethyl-4-methylthiophene-2-carbonyl)-2,3-dihydroindole-3-carboxylic acid.

Molecular Properties

Compound Name1-(5-ethyl-4-methylthiophene-2-carbonyl)-2,3-dihydroindole-3-carboxylic acid
PubChem CID120691318
Molecular FormulaC17H17NO3S
Molecular Weight315.39 g/mol
Exact Mass315.09
IUPAC Name1-(5-ethyl-4-methylthiophene-2-carbonyl)-2,3-dihydroindole-3-carboxylic acid
SMILESCCc1sc(C(=O)N2CC(C(=O)O)c3ccccc32)cc1C
InChIInChI=1S/C17H17NO3S/c1-3-14-10(2)8-15(22-14)16(19)18-9-12(17(20)21)11-6-4-5-7-13(11)18/h4-8,12H,3,9H2,1-2H3,(H,20,21)
InChIKeyMNXYUEZUESYOTF-UHFFFAOYSA-N
XLogP3.45
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.39
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4,5-dimethylthiophene-2-carbonyl)-2,3-dihydroindole-3-carboxylic acid
CID 80564421
(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
(3S)-1-(5-chlorothiophene-2-carbonyl)-2,3-dihydroindole-3-carboxylic acid
CID 124574015
1-(4-methylthiophene-3-carbonyl)-2,3-dihydroindole-3-carboxylic acid
CID 80565160
(3S)-1-(4-methylthiophene-3-carbonyl)-2,3-dihydroindole-3-carboxylic acid
CID 124574107
1-(5-methyl-1-pentan-3-ylpyrazole-3-carbonyl)-2,3-dihydroindole-3-carboxylic acid
CID 120691327
(3S)-1-(3-methylfuran-2-carbonyl)-2,3-dihydroindole-3-carboxylic acid
CID 124574082
1-(1,5-dimethylpyrazole-3-carbonyl)-2,3-dihydroindole-3-carboxylic acid
CID 120691469
(3S)-1-(2,5-dimethylfuran-3-carbonyl)-2,3-dihydroindole-3-carboxylic acid
CID 124574042
1-(2,5-dichlorothiophene-3-carbonyl)-2,3-dihydroindole-3-carboxylic acid
CID 107959682
(3S)-1-(5-methyl-1,2-oxazole-3-carbonyl)-2,3-dihydroindole-3-carboxylic acid
CID 99631997

Frequently Asked Questions

What is the IUPAC name of 1-(5-ethyl-4-methylthiophene-2-carbonyl)-2,3-dihydroindole-3-carboxylic acid?
The IUPAC name of 1-(5-ethyl-4-methylthiophene-2-carbonyl)-2,3-dihydroindole-3-carboxylic acid (CID 120691318) is 1-(5-ethyl-4-methylthiophene-2-carbonyl)-2,3-dihydroindole-3-carboxylic acid.
What is the SMILES notation for 1-(5-ethyl-4-methylthiophene-2-carbonyl)-2,3-dihydroindole-3-carboxylic acid?
The canonical SMILES for 1-(5-ethyl-4-methylthiophene-2-carbonyl)-2,3-dihydroindole-3-carboxylic acid is CCc1sc(C(=O)N2CC(C(=O)O)c3ccccc32)cc1C.
What is the InChIKey of 1-(5-ethyl-4-methylthiophene-2-carbonyl)-2,3-dihydroindole-3-carboxylic acid?
The InChIKey is MNXYUEZUESYOTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO3S/c1-3-14-10(2)8-15(22-14)16(19)18-9-12(17(20)21)11-6-4-5-7-13(11)18/h4-8,12H,3,9H2,1-2H3,(H,20,21).
What are the key properties of 1-(5-ethyl-4-methylthiophene-2-carbonyl)-2,3-dihydroindole-3-carboxylic acid?
1-(5-ethyl-4-methylthiophene-2-carbonyl)-2,3-dihydroindole-3-carboxylic acid has a molecular weight of 315.39 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethyl-4-methylthiophene-2-carbonyl)-2,3-dihydroindole-3-carboxylic acid is sourced from PubChem (CID 120691318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).