ethyl 2-[(2-methylsulfonylbenzoyl)amino]-1,3-dihydroindene-2-carboxylate

C20H21NO5S — CID 59314139

IUPACethyl 2-[(2-methylsulfonylbenzoyl)amino]-1,3-dihydroindene-2-carboxylate
SMILESCCOC(=O)C1(NC(=O)c2ccccc2S(C)(=O)=O)Cc2ccccc2C1
InChIInChI=1S/C20H21NO5S/c1-3-26-19(23)20(12-14-8-4-5-9-15(14)13-20)21-18(22)16-10-6-7-11-17(16)27(2,24)25/h4-11H,3,12-13H2,1-2H3,(H,21,22)
InChIKeyYSWNFAMGLBHYCQ-UHFFFAOYSA-N
MW387.46 g/mol
LogP1.92
Rot. Bonds5

About ethyl 2-[(2-methylsulfonylbenzoyl)amino]-1,3-dihydroindene-2-carboxylate

ethyl 2-[(2-methylsulfonylbenzoyl)amino]-1,3-dihydroindene-2-carboxylate (PubChem CID 59314139) has the molecular formula C20H21NO5S and a molecular weight of 387.46 g/mol. Its IUPAC name is ethyl 2-[(2-methylsulfonylbenzoyl)amino]-1,3-dihydroindene-2-carboxylate.

Molecular Properties

Compound Nameethyl 2-[(2-methylsulfonylbenzoyl)amino]-1,3-dihydroindene-2-carboxylate
PubChem CID59314139
Molecular FormulaC20H21NO5S
Molecular Weight387.46 g/mol
Exact Mass387.11
IUPAC Nameethyl 2-[(2-methylsulfonylbenzoyl)amino]-1,3-dihydroindene-2-carboxylate
SMILESCCOC(=O)C1(NC(=O)c2ccccc2S(C)(=O)=O)Cc2ccccc2C1
InChIInChI=1S/C20H21NO5S/c1-3-26-19(23)20(12-14-8-4-5-9-15(14)13-20)21-18(22)16-10-6-7-11-17(16)27(2,24)25/h4-11H,3,12-13H2,1-2H3,(H,21,22)
InChIKeyYSWNFAMGLBHYCQ-UHFFFAOYSA-N
XLogP1.92
TPSA89.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.46
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2-methylsulfonylbenzoyl)amino]-1,3-dihydroindene-2-carboxylate?
The IUPAC name of ethyl 2-[(2-methylsulfonylbenzoyl)amino]-1,3-dihydroindene-2-carboxylate (CID 59314139) is ethyl 2-[(2-methylsulfonylbenzoyl)amino]-1,3-dihydroindene-2-carboxylate.
What is the SMILES notation for ethyl 2-[(2-methylsulfonylbenzoyl)amino]-1,3-dihydroindene-2-carboxylate?
The canonical SMILES for ethyl 2-[(2-methylsulfonylbenzoyl)amino]-1,3-dihydroindene-2-carboxylate is CCOC(=O)C1(NC(=O)c2ccccc2S(C)(=O)=O)Cc2ccccc2C1.
What is the InChIKey of ethyl 2-[(2-methylsulfonylbenzoyl)amino]-1,3-dihydroindene-2-carboxylate?
The InChIKey is YSWNFAMGLBHYCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO5S/c1-3-26-19(23)20(12-14-8-4-5-9-15(14)13-20)21-18(22)16-10-6-7-11-17(16)27(2,24)25/h4-11H,3,12-13H2,1-2H3,(H,21,22).
What are the key properties of ethyl 2-[(2-methylsulfonylbenzoyl)amino]-1,3-dihydroindene-2-carboxylate?
ethyl 2-[(2-methylsulfonylbenzoyl)amino]-1,3-dihydroindene-2-carboxylate has a molecular weight of 387.46 g/mol, XLogP of 1.92, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2-methylsulfonylbenzoyl)amino]-1,3-dihydroindene-2-carboxylate is sourced from PubChem (CID 59314139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).