(2R)-1-(4-fluorophenyl)sulfonyl-2-methyl-N-[[(2S)-oxolan-2-yl]methyl]-2,3-dihydroindole-5-carboxamide

C21H23FN2O4S — CID 92671126

IUPAC(2R)-1-(4-fluorophenyl)sulfonyl-2-methyl-N-[[(2S)-oxolan-2-yl]methyl]-2,3-dihydroindole-5-carboxamide
SMILESC[C@@H]1Cc2cc(C(=O)NC[C@@H]3CCCO3)ccc2N1S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C21H23FN2O4S/c1-14-11-16-12-15(21(25)23-13-18-3-2-10-28-18)4-9-20(16)24(14)29(26,27)19-7-5-17(22)6-8-19/h4-9,12,14,18H,2-3,10-11,13H2,1H3,(H,23,25)/t14-,18+/m1/s1
InChIKeyKAZTWRNXZNMZDV-KDOFPFPSSA-N
MW418.49 g/mol
LogP2.87
Rot. Bonds5

About (2R)-1-(4-fluorophenyl)sulfonyl-2-methyl-N-[[(2S)-oxolan-2-yl]methyl]-2,3-dihydroindole-5-carboxamide

(2R)-1-(4-fluorophenyl)sulfonyl-2-methyl-N-[[(2S)-oxolan-2-yl]methyl]-2,3-dihydroindole-5-carboxamide (PubChem CID 92671126) has the molecular formula C21H23FN2O4S and a molecular weight of 418.49 g/mol. Its IUPAC name is (2R)-1-(4-fluorophenyl)sulfonyl-2-methyl-N-[[(2S)-oxolan-2-yl]methyl]-2,3-dihydroindole-5-carboxamide.

Molecular Properties

Compound Name(2R)-1-(4-fluorophenyl)sulfonyl-2-methyl-N-[[(2S)-oxolan-2-yl]methyl]-2,3-dihydroindole-5-carboxamide
PubChem CID92671126
Molecular FormulaC21H23FN2O4S
Molecular Weight418.49 g/mol
Exact Mass418.14
IUPAC Name(2R)-1-(4-fluorophenyl)sulfonyl-2-methyl-N-[[(2S)-oxolan-2-yl]methyl]-2,3-dihydroindole-5-carboxamide
SMILESC[C@@H]1Cc2cc(C(=O)NC[C@@H]3CCCO3)ccc2N1S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C21H23FN2O4S/c1-14-11-16-12-15(21(25)23-13-18-3-2-10-28-18)4-9-20(16)24(14)29(26,27)19-7-5-17(22)6-8-19/h4-9,12,14,18H,2-3,10-11,13H2,1H3,(H,23,25)/t14-,18+/m1/s1
InChIKeyKAZTWRNXZNMZDV-KDOFPFPSSA-N
XLogP2.87
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.49
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2R)-1-(4-fluorophenyl)sulfonyl-2-methyl-N-[[(2S)-oxolan-2-yl]methyl]-2,3-dihydroindole-5-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

(2R)-2-methyl-1-methylsulfonyl-N-[[(2S)-oxolan-2-yl]methyl]-2,3-dihydroindole-5-carboxamide
CID 41452585
(2R)-N-ethyl-1-(4-fluorophenyl)sulfonyl-2-methyl-2,3-dihydroindole-5-carboxamide
CID 92671089
(2S)-N-cyclopropyl-1-(4-fluorophenyl)sulfonyl-2-methyl-2,3-dihydroindole-5-carboxamide
CID 92671105
(2S)-1-(4-fluorophenyl)sulfonyl-2-methyl-N-(2-morpholin-4-ylethyl)-2,3-dihydroindole-5-carboxamide
CID 92671284
(2S)-1-(4-fluorophenyl)sulfonyl-2-methyl-N-[(1S)-1-phenylethyl]-2,3-dihydroindole-5-carboxamide
CID 92671117
(2R)-N-(2,3-dimethylphenyl)-1-(4-fluorophenyl)sulfonyl-2-methyl-2,3-dihydroindole-5-carboxamide
CID 92671140
4-fluoro-N-(oxolan-2-ylmethyl)benzamide
CID 531952
(2S)-N-(3-acetamidophenyl)-1-(4-fluorophenyl)sulfonyl-2-methyl-2,3-dihydroindole-5-carboxamide
CID 92671274
1-(4-chlorophenyl)sulfonyl-N-[1-(4-fluorophenyl)ethyl]-2-methyl-2,3-dihydroindole-5-carboxamide
CID 43906868
(2S)-1-(4-chlorophenyl)sulfonyl-N-[(1R)-1-(4-fluorophenyl)ethyl]-2-methyl-2,3-dihydroindole-5-carboxamide
CID 30464119
(2S)-1-(4-chlorophenyl)sulfonyl-2-methyl-N-propyl-2,3-dihydroindole-5-carboxamide
CID 92670690
(2S)-N-[2-(4-fluorophenyl)ethyl]-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 9210497

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(4-fluorophenyl)sulfonyl-2-methyl-N-[[(2S)-oxolan-2-yl]methyl]-2,3-dihydroindole-5-carboxamide?
The IUPAC name of (2R)-1-(4-fluorophenyl)sulfonyl-2-methyl-N-[[(2S)-oxolan-2-yl]methyl]-2,3-dihydroindole-5-carboxamide (CID 92671126) is (2R)-1-(4-fluorophenyl)sulfonyl-2-methyl-N-[[(2S)-oxolan-2-yl]methyl]-2,3-dihydroindole-5-carboxamide.
What is the SMILES notation for (2R)-1-(4-fluorophenyl)sulfonyl-2-methyl-N-[[(2S)-oxolan-2-yl]methyl]-2,3-dihydroindole-5-carboxamide?
The canonical SMILES for (2R)-1-(4-fluorophenyl)sulfonyl-2-methyl-N-[[(2S)-oxolan-2-yl]methyl]-2,3-dihydroindole-5-carboxamide is C[C@@H]1Cc2cc(C(=O)NC[C@@H]3CCCO3)ccc2N1S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of (2R)-1-(4-fluorophenyl)sulfonyl-2-methyl-N-[[(2S)-oxolan-2-yl]methyl]-2,3-dihydroindole-5-carboxamide?
The InChIKey is KAZTWRNXZNMZDV-KDOFPFPSSA-N. The full InChI is InChI=1S/C21H23FN2O4S/c1-14-11-16-12-15(21(25)23-13-18-3-2-10-28-18)4-9-20(16)24(14)29(26,27)19-7-5-17(22)6-8-19/h4-9,12,14,18H,2-3,10-11,13H2,1H3,(H,23,25)/t14-,18+/m1/s1.
What are the key properties of (2R)-1-(4-fluorophenyl)sulfonyl-2-methyl-N-[[(2S)-oxolan-2-yl]methyl]-2,3-dihydroindole-5-carboxamide?
(2R)-1-(4-fluorophenyl)sulfonyl-2-methyl-N-[[(2S)-oxolan-2-yl]methyl]-2,3-dihydroindole-5-carboxamide has a molecular weight of 418.49 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(4-fluorophenyl)sulfonyl-2-methyl-N-[[(2S)-oxolan-2-yl]methyl]-2,3-dihydroindole-5-carboxamide is sourced from PubChem (CID 92671126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).