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N-methyl-N-(2-methylsulfonylethyl)-2,3-dihydro-1H-indole-2-carboxamide

C13H18N2O3S — CID 80567418

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACN-methyl-N-(2-methylsulfonylethyl)-2,3-dihydro-1H-indole-2-carboxamide
SMILESCN(CCS(C)(=O)=O)C(=O)C1Cc2ccccc2N1
InChIInChI=1S/C13H18N2O3S/c1-15(7-8-19(2,17)18)13(16)12-9-10-5-3-4-6-11(10)14-12/h3-6,12,14H,7-9H2,1-2H3
InChIKeyFRBUANBCFIYHLW-UHFFFAOYSA-N
MW282.36 g/mol
LogP0.53
Rot. Bonds4

About N-methyl-N-(2-methylsulfonylethyl)-2,3-dihydro-1H-indole-2-carboxamide

N-methyl-N-(2-methylsulfonylethyl)-2,3-dihydro-1H-indole-2-carboxamide (PubChem CID 80567418) has the molecular formula C13H18N2O3S and a molecular weight of 282.36 g/mol. Its IUPAC name is N-methyl-N-(2-methylsulfonylethyl)-2,3-dihydro-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-methyl-N-(2-methylsulfonylethyl)-2,3-dihydro-1H-indole-2-carboxamide
PubChem CID80567418
Molecular FormulaC13H18N2O3S
Molecular Weight282.36 g/mol
Exact Mass282.10
IUPAC NameN-methyl-N-(2-methylsulfonylethyl)-2,3-dihydro-1H-indole-2-carboxamide
SMILESCN(CCS(C)(=O)=O)C(=O)C1Cc2ccccc2N1
InChIInChI=1S/C13H18N2O3S/c1-15(7-8-19(2,17)18)13(16)12-9-10-5-3-4-6-11(10)14-12/h3-6,12,14H,7-9H2,1-2H3
InChIKeyFRBUANBCFIYHLW-UHFFFAOYSA-N
XLogP0.53
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2-methylsulfonylethyl)-2,3-dihydro-1H-indole-2-carboxamide?
The IUPAC name of N-methyl-N-(2-methylsulfonylethyl)-2,3-dihydro-1H-indole-2-carboxamide (CID 80567418) is N-methyl-N-(2-methylsulfonylethyl)-2,3-dihydro-1H-indole-2-carboxamide.
What is the SMILES notation for N-methyl-N-(2-methylsulfonylethyl)-2,3-dihydro-1H-indole-2-carboxamide?
The canonical SMILES for N-methyl-N-(2-methylsulfonylethyl)-2,3-dihydro-1H-indole-2-carboxamide is CN(CCS(C)(=O)=O)C(=O)C1Cc2ccccc2N1.
What is the InChIKey of N-methyl-N-(2-methylsulfonylethyl)-2,3-dihydro-1H-indole-2-carboxamide?
The InChIKey is FRBUANBCFIYHLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3S/c1-15(7-8-19(2,17)18)13(16)12-9-10-5-3-4-6-11(10)14-12/h3-6,12,14H,7-9H2,1-2H3.
What are the key properties of N-methyl-N-(2-methylsulfonylethyl)-2,3-dihydro-1H-indole-2-carboxamide?
N-methyl-N-(2-methylsulfonylethyl)-2,3-dihydro-1H-indole-2-carboxamide has a molecular weight of 282.36 g/mol, XLogP of 0.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-methylsulfonylethyl)-2,3-dihydro-1H-indole-2-carboxamide is sourced from PubChem (CID 80567418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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