5-ethyl-1-[(2-fluorophenyl)methyl]-3-(6-methyl-2-oxo-1H-pyridin-3-yl)-N-propan-2-ylsulfonylindole-2-carboxamide

C27H28FN3O4S — CID 58132641

IUPAC5-ethyl-1-[(2-fluorophenyl)methyl]-3-(6-methyl-2-oxo-1H-pyridin-3-yl)-N-propan-2-ylsulfonylindole-2-carboxamide
SMILESCCc1ccc2c(c1)c(-c1ccc(C)[nH]c1=O)c(C(=O)NS(=O)(=O)C(C)C)n2Cc1ccccc1F
InChIInChI=1S/C27H28FN3O4S/c1-5-18-11-13-23-21(14-18)24(20-12-10-17(4)29-26(20)32)25(27(33)30-36(34,35)16(2)3)31(23)15-19-8-6-7-9-22(19)28/h6-14,16H,5,15H2,1-4H3,(H,29,32)(H,30,33)
InChIKeyHPDGTAOCFJNGKZ-UHFFFAOYSA-N
MW509.60 g/mol
LogP4.52
Rot. Bonds7

About 5-ethyl-1-[(2-fluorophenyl)methyl]-3-(6-methyl-2-oxo-1H-pyridin-3-yl)-N-propan-2-ylsulfonylindole-2-carboxamide

5-ethyl-1-[(2-fluorophenyl)methyl]-3-(6-methyl-2-oxo-1H-pyridin-3-yl)-N-propan-2-ylsulfonylindole-2-carboxamide (PubChem CID 58132641) has the molecular formula C27H28FN3O4S and a molecular weight of 509.60 g/mol. Its IUPAC name is 5-ethyl-1-[(2-fluorophenyl)methyl]-3-(6-methyl-2-oxo-1H-pyridin-3-yl)-N-propan-2-ylsulfonylindole-2-carboxamide.

Molecular Properties

Compound Name5-ethyl-1-[(2-fluorophenyl)methyl]-3-(6-methyl-2-oxo-1H-pyridin-3-yl)-N-propan-2-ylsulfonylindole-2-carboxamide
PubChem CID58132641
Molecular FormulaC27H28FN3O4S
Molecular Weight509.60 g/mol
Exact Mass509.18
IUPAC Name5-ethyl-1-[(2-fluorophenyl)methyl]-3-(6-methyl-2-oxo-1H-pyridin-3-yl)-N-propan-2-ylsulfonylindole-2-carboxamide
SMILESCCc1ccc2c(c1)c(-c1ccc(C)[nH]c1=O)c(C(=O)NS(=O)(=O)C(C)C)n2Cc1ccccc1F
InChIInChI=1S/C27H28FN3O4S/c1-5-18-11-13-23-21(14-18)24(20-12-10-17(4)29-26(20)32)25(27(33)30-36(34,35)16(2)3)31(23)15-19-8-6-7-9-22(19)28/h6-14,16H,5,15H2,1-4H3,(H,29,32)(H,30,33)
InChIKeyHPDGTAOCFJNGKZ-UHFFFAOYSA-N
XLogP4.52
TPSA101.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500509.60
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-ethyl-1-[(2-fluorophenyl)methyl]-3-(6-methyl-2-oxo-1H-pyridin-3-yl)-N-propan-2-ylsulfonylindole-2-carboxamide 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-ethyl-1-[(2-fluorophenyl)methyl]-3-(6-methyl-2-oxo-1H-pyridin-3-yl)-N-propan-2-ylsulfonylindole-2-carboxamide?
The IUPAC name of 5-ethyl-1-[(2-fluorophenyl)methyl]-3-(6-methyl-2-oxo-1H-pyridin-3-yl)-N-propan-2-ylsulfonylindole-2-carboxamide (CID 58132641) is 5-ethyl-1-[(2-fluorophenyl)methyl]-3-(6-methyl-2-oxo-1H-pyridin-3-yl)-N-propan-2-ylsulfonylindole-2-carboxamide.
What is the SMILES notation for 5-ethyl-1-[(2-fluorophenyl)methyl]-3-(6-methyl-2-oxo-1H-pyridin-3-yl)-N-propan-2-ylsulfonylindole-2-carboxamide?
The canonical SMILES for 5-ethyl-1-[(2-fluorophenyl)methyl]-3-(6-methyl-2-oxo-1H-pyridin-3-yl)-N-propan-2-ylsulfonylindole-2-carboxamide is CCc1ccc2c(c1)c(-c1ccc(C)[nH]c1=O)c(C(=O)NS(=O)(=O)C(C)C)n2Cc1ccccc1F.
What is the InChIKey of 5-ethyl-1-[(2-fluorophenyl)methyl]-3-(6-methyl-2-oxo-1H-pyridin-3-yl)-N-propan-2-ylsulfonylindole-2-carboxamide?
The InChIKey is HPDGTAOCFJNGKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28FN3O4S/c1-5-18-11-13-23-21(14-18)24(20-12-10-17(4)29-26(20)32)25(27(33)30-36(34,35)16(2)3)31(23)15-19-8-6-7-9-22(19)28/h6-14,16H,5,15H2,1-4H3,(H,29,32)(H,30,33).
What are the key properties of 5-ethyl-1-[(2-fluorophenyl)methyl]-3-(6-methyl-2-oxo-1H-pyridin-3-yl)-N-propan-2-ylsulfonylindole-2-carboxamide?
5-ethyl-1-[(2-fluorophenyl)methyl]-3-(6-methyl-2-oxo-1H-pyridin-3-yl)-N-propan-2-ylsulfonylindole-2-carboxamide has a molecular weight of 509.60 g/mol, XLogP of 4.52, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1-[(2-fluorophenyl)methyl]-3-(6-methyl-2-oxo-1H-pyridin-3-yl)-N-propan-2-ylsulfonylindole-2-carboxamide is sourced from PubChem (CID 58132641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).