2-[ethyl-[[(3R)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]sulfonyl]amino]-N-[(4-fluorophenyl)methyl]acetamide

C20H22FN3O4S — CID 9187775

IUPAC2-[ethyl-[[(3R)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]sulfonyl]amino]-N-[(4-fluorophenyl)methyl]acetamide
SMILESCCN(CC(=O)NCc1ccc(F)cc1)S(=O)(=O)c1ccc2c(c1)[C@@H](C)C(=O)N2
InChIInChI=1S/C20H22FN3O4S/c1-3-24(12-19(25)22-11-14-4-6-15(21)7-5-14)29(27,28)16-8-9-18-17(10-16)13(2)20(26)23-18/h4-10,13H,3,11-12H2,1-2H3,(H,22,25)(H,23,26)/t13-/m1/s1
InChIKeyFTKXBGUFWCAYDF-CYBMUJFWSA-N
MW419.48 g/mol
LogP2.21
Rot. Bonds7

About 2-[ethyl-[[(3R)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]sulfonyl]amino]-N-[(4-fluorophenyl)methyl]acetamide

2-[ethyl-[[(3R)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]sulfonyl]amino]-N-[(4-fluorophenyl)methyl]acetamide (PubChem CID 9187775) has the molecular formula C20H22FN3O4S and a molecular weight of 419.48 g/mol. Its IUPAC name is 2-[ethyl-[[(3R)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]sulfonyl]amino]-N-[(4-fluorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[ethyl-[[(3R)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]sulfonyl]amino]-N-[(4-fluorophenyl)methyl]acetamide
PubChem CID9187775
Molecular FormulaC20H22FN3O4S
Molecular Weight419.48 g/mol
Exact Mass419.13
IUPAC Name2-[ethyl-[[(3R)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]sulfonyl]amino]-N-[(4-fluorophenyl)methyl]acetamide
SMILESCCN(CC(=O)NCc1ccc(F)cc1)S(=O)(=O)c1ccc2c(c1)[C@@H](C)C(=O)N2
InChIInChI=1S/C20H22FN3O4S/c1-3-24(12-19(25)22-11-14-4-6-15(21)7-5-14)29(27,28)16-8-9-18-17(10-16)13(2)20(26)23-18/h4-10,13H,3,11-12H2,1-2H3,(H,22,25)(H,23,26)/t13-/m1/s1
InChIKeyFTKXBGUFWCAYDF-CYBMUJFWSA-N
XLogP2.21
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.48
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[ethyl-[[(3R)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]sulfonyl]amino]-N-[(4-fluorophenyl)methyl]acetamide 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

2-[ethyl-[[(3S)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]sulfonyl]amino]-N-(4-methoxyphenyl)acetamide
CID 9188307
N-[[4-(diethylsulfamoyl)phenyl]methyl]-3-(4-fluorophenyl)propanamide
CID 31747284
2-[ethyl-(2,3,5,6-tetramethylphenyl)sulfonylamino]-N-[(4-fluorophenyl)methyl]acetamide
CID 7937660
N,N-diethyl-2-[methyl-[[(3R)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]sulfonyl]amino]acetamide
CID 9188873
N,N-diethyl-3-fluoro-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 68654542
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 4-(diethylsulfamoyl)benzoate
CID 2557279
2-[(4-acetylphenyl)sulfonyl-[(4-fluorophenyl)methyl]amino]-N-[(4-fluorophenyl)methyl]acetamide
CID 4822610
2-[(2-chlorophenyl)sulfonyl-ethylamino]-N-[(4-fluorophenyl)methyl]acetamide
CID 7937663
(3R)-3-methyl-2-oxo-N,N-bis(prop-2-enyl)-1,3-dihydroindole-5-sulfonamide
CID 9186128
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 5-(diethylsulfamoyl)-2-fluorobenzoate
CID 16512419
2-[benzyl-(4-fluorophenyl)sulfonylamino]-N-[(4-fluorophenyl)methyl]acetamide
CID 4181243
N-[(4-fluorophenyl)methyl]-2-[methyl-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]amino]acetamide
CID 20862475

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[[(3R)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]sulfonyl]amino]-N-[(4-fluorophenyl)methyl]acetamide?
The IUPAC name of 2-[ethyl-[[(3R)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]sulfonyl]amino]-N-[(4-fluorophenyl)methyl]acetamide (CID 9187775) is 2-[ethyl-[[(3R)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]sulfonyl]amino]-N-[(4-fluorophenyl)methyl]acetamide.
What is the SMILES notation for 2-[ethyl-[[(3R)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]sulfonyl]amino]-N-[(4-fluorophenyl)methyl]acetamide?
The canonical SMILES for 2-[ethyl-[[(3R)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]sulfonyl]amino]-N-[(4-fluorophenyl)methyl]acetamide is CCN(CC(=O)NCc1ccc(F)cc1)S(=O)(=O)c1ccc2c(c1)[C@@H](C)C(=O)N2.
What is the InChIKey of 2-[ethyl-[[(3R)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]sulfonyl]amino]-N-[(4-fluorophenyl)methyl]acetamide?
The InChIKey is FTKXBGUFWCAYDF-CYBMUJFWSA-N. The full InChI is InChI=1S/C20H22FN3O4S/c1-3-24(12-19(25)22-11-14-4-6-15(21)7-5-14)29(27,28)16-8-9-18-17(10-16)13(2)20(26)23-18/h4-10,13H,3,11-12H2,1-2H3,(H,22,25)(H,23,26)/t13-/m1/s1.
What are the key properties of 2-[ethyl-[[(3R)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]sulfonyl]amino]-N-[(4-fluorophenyl)methyl]acetamide?
2-[ethyl-[[(3R)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]sulfonyl]amino]-N-[(4-fluorophenyl)methyl]acetamide has a molecular weight of 419.48 g/mol, XLogP of 2.21, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[[(3R)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]sulfonyl]amino]-N-[(4-fluorophenyl)methyl]acetamide is sourced from PubChem (CID 9187775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).