5-ethylsulfonyl-3-(7-methyl-2,3-dihydroindole-1-carbonyl)-1H-pyridin-2-one

C17H18N2O4S — CID 138026434

IUPAC5-ethylsulfonyl-3-(7-methyl-2,3-dihydroindole-1-carbonyl)-1H-pyridin-2-one
SMILESCCS(=O)(=O)c1c[nH]c(=O)c(C(=O)N2CCc3cccc(C)c32)c1
InChIInChI=1S/C17H18N2O4S/c1-3-24(22,23)13-9-14(16(20)18-10-13)17(21)19-8-7-12-6-4-5-11(2)15(12)19/h4-6,9-10H,3,7-8H2,1-2H3,(H,18,20)
InChIKeyPVWVPRJFRZHARJ-UHFFFAOYSA-N
MW346.41 g/mol
LogP1.68
Rot. Bonds3

About 5-ethylsulfonyl-3-(7-methyl-2,3-dihydroindole-1-carbonyl)-1H-pyridin-2-one

5-ethylsulfonyl-3-(7-methyl-2,3-dihydroindole-1-carbonyl)-1H-pyridin-2-one (PubChem CID 138026434) has the molecular formula C17H18N2O4S and a molecular weight of 346.41 g/mol. Its IUPAC name is 5-ethylsulfonyl-3-(7-methyl-2,3-dihydroindole-1-carbonyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name5-ethylsulfonyl-3-(7-methyl-2,3-dihydroindole-1-carbonyl)-1H-pyridin-2-one
PubChem CID138026434
Molecular FormulaC17H18N2O4S
Molecular Weight346.41 g/mol
Exact Mass346.10
IUPAC Name5-ethylsulfonyl-3-(7-methyl-2,3-dihydroindole-1-carbonyl)-1H-pyridin-2-one
SMILESCCS(=O)(=O)c1c[nH]c(=O)c(C(=O)N2CCc3cccc(C)c32)c1
InChIInChI=1S/C17H18N2O4S/c1-3-24(22,23)13-9-14(16(20)18-10-13)17(21)19-8-7-12-6-4-5-11(2)15(12)19/h4-6,9-10H,3,7-8H2,1-2H3,(H,18,20)
InChIKeyPVWVPRJFRZHARJ-UHFFFAOYSA-N
XLogP1.68
TPSA87.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-ethylsulfonyl-3-(7-methyl-2,3-dihydroindole-1-carbonyl)-1H-pyridin-2-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-ethylsulfonyl-3-(7-methyl-2,3-dihydroindole-1-carbonyl)-1H-pyridin-2-one?
The IUPAC name of 5-ethylsulfonyl-3-(7-methyl-2,3-dihydroindole-1-carbonyl)-1H-pyridin-2-one (CID 138026434) is 5-ethylsulfonyl-3-(7-methyl-2,3-dihydroindole-1-carbonyl)-1H-pyridin-2-one.
What is the SMILES notation for 5-ethylsulfonyl-3-(7-methyl-2,3-dihydroindole-1-carbonyl)-1H-pyridin-2-one?
The canonical SMILES for 5-ethylsulfonyl-3-(7-methyl-2,3-dihydroindole-1-carbonyl)-1H-pyridin-2-one is CCS(=O)(=O)c1c[nH]c(=O)c(C(=O)N2CCc3cccc(C)c32)c1.
What is the InChIKey of 5-ethylsulfonyl-3-(7-methyl-2,3-dihydroindole-1-carbonyl)-1H-pyridin-2-one?
The InChIKey is PVWVPRJFRZHARJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O4S/c1-3-24(22,23)13-9-14(16(20)18-10-13)17(21)19-8-7-12-6-4-5-11(2)15(12)19/h4-6,9-10H,3,7-8H2,1-2H3,(H,18,20).
What are the key properties of 5-ethylsulfonyl-3-(7-methyl-2,3-dihydroindole-1-carbonyl)-1H-pyridin-2-one?
5-ethylsulfonyl-3-(7-methyl-2,3-dihydroindole-1-carbonyl)-1H-pyridin-2-one has a molecular weight of 346.41 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethylsulfonyl-3-(7-methyl-2,3-dihydroindole-1-carbonyl)-1H-pyridin-2-one is sourced from PubChem (CID 138026434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).