2-[(2-methylsulfanylbenzoyl)amino]-1,3-dihydroindene-2-carboxylic acid

C18H17NO3S — CID 25159488

IUPAC2-[(2-methylsulfanylbenzoyl)amino]-1,3-dihydroindene-2-carboxylic acid
SMILESCSc1ccccc1C(=O)NC1(C(=O)O)Cc2ccccc2C1
InChIInChI=1S/C18H17NO3S/c1-23-15-9-5-4-8-14(15)16(20)19-18(17(21)22)10-12-6-2-3-7-13(12)11-18/h2-9H,10-11H2,1H3,(H,19,20)(H,21,22)
InChIKeyWJOTYSZYVPBJCG-UHFFFAOYSA-N
MW327.41 g/mol
LogP2.76
Rot. Bonds4

About 2-[(2-methylsulfanylbenzoyl)amino]-1,3-dihydroindene-2-carboxylic acid

2-[(2-methylsulfanylbenzoyl)amino]-1,3-dihydroindene-2-carboxylic acid (PubChem CID 25159488) has the molecular formula C18H17NO3S and a molecular weight of 327.41 g/mol. Its IUPAC name is 2-[(2-methylsulfanylbenzoyl)amino]-1,3-dihydroindene-2-carboxylic acid.

Molecular Properties

Compound Name2-[(2-methylsulfanylbenzoyl)amino]-1,3-dihydroindene-2-carboxylic acid
PubChem CID25159488
Molecular FormulaC18H17NO3S
Molecular Weight327.41 g/mol
Exact Mass327.09
IUPAC Name2-[(2-methylsulfanylbenzoyl)amino]-1,3-dihydroindene-2-carboxylic acid
SMILESCSc1ccccc1C(=O)NC1(C(=O)O)Cc2ccccc2C1
InChIInChI=1S/C18H17NO3S/c1-23-15-9-5-4-8-14(15)16(20)19-18(17(21)22)10-12-6-2-3-7-13(12)11-18/h2-9H,10-11H2,1H3,(H,19,20)(H,21,22)
InChIKeyWJOTYSZYVPBJCG-UHFFFAOYSA-N
XLogP2.76
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylsulfanylbenzoyl)amino]-1,3-dihydroindene-2-carboxylic acid?
The IUPAC name of 2-[(2-methylsulfanylbenzoyl)amino]-1,3-dihydroindene-2-carboxylic acid (CID 25159488) is 2-[(2-methylsulfanylbenzoyl)amino]-1,3-dihydroindene-2-carboxylic acid.
What is the SMILES notation for 2-[(2-methylsulfanylbenzoyl)amino]-1,3-dihydroindene-2-carboxylic acid?
The canonical SMILES for 2-[(2-methylsulfanylbenzoyl)amino]-1,3-dihydroindene-2-carboxylic acid is CSc1ccccc1C(=O)NC1(C(=O)O)Cc2ccccc2C1.
What is the InChIKey of 2-[(2-methylsulfanylbenzoyl)amino]-1,3-dihydroindene-2-carboxylic acid?
The InChIKey is WJOTYSZYVPBJCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO3S/c1-23-15-9-5-4-8-14(15)16(20)19-18(17(21)22)10-12-6-2-3-7-13(12)11-18/h2-9H,10-11H2,1H3,(H,19,20)(H,21,22).
What are the key properties of 2-[(2-methylsulfanylbenzoyl)amino]-1,3-dihydroindene-2-carboxylic acid?
2-[(2-methylsulfanylbenzoyl)amino]-1,3-dihydroindene-2-carboxylic acid has a molecular weight of 327.41 g/mol, XLogP of 2.76, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylsulfanylbenzoyl)amino]-1,3-dihydroindene-2-carboxylic acid is sourced from PubChem (CID 25159488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).