N-[1-(2-fluorophenyl)ethyl]-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide

C19H21FN2O3S — CID 46821100

IUPACN-[1-(2-fluorophenyl)ethyl]-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
SMILESCC(NC(=O)c1ccc2c(c1)CC(C)N2S(C)(=O)=O)c1ccccc1F
InChIInChI=1S/C19H21FN2O3S/c1-12-10-15-11-14(8-9-18(15)22(12)26(3,24)25)19(23)21-13(2)16-6-4-5-7-17(16)20/h4-9,11-13H,10H2,1-3H3,(H,21,23)
InChIKeyKTJKYYRMFTYJRJ-UHFFFAOYSA-N
MW376.45 g/mol
LogP3.03
Rot. Bonds4

About N-[1-(2-fluorophenyl)ethyl]-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide

N-[1-(2-fluorophenyl)ethyl]-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide (PubChem CID 46821100) has the molecular formula C19H21FN2O3S and a molecular weight of 376.45 g/mol. Its IUPAC name is N-[1-(2-fluorophenyl)ethyl]-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide.

Molecular Properties

Compound NameN-[1-(2-fluorophenyl)ethyl]-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
PubChem CID46821100
Molecular FormulaC19H21FN2O3S
Molecular Weight376.45 g/mol
Exact Mass376.13
IUPAC NameN-[1-(2-fluorophenyl)ethyl]-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
SMILESCC(NC(=O)c1ccc2c(c1)CC(C)N2S(C)(=O)=O)c1ccccc1F
InChIInChI=1S/C19H21FN2O3S/c1-12-10-15-11-14(8-9-18(15)22(12)26(3,24)25)19(23)21-13(2)16-6-4-5-7-17(16)20/h4-9,11-13H,10H2,1-3H3,(H,21,23)
InChIKeyKTJKYYRMFTYJRJ-UHFFFAOYSA-N
XLogP3.03
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.45
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[1-(2-fluorophenyl)ethyl]-2-methyl-1-methylsulfonyl-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

2-methyl-1-methylsulfonyl-N-[1-(2,4,5-trimethylphenyl)ethyl]-2,3-dihydroindole-5-carboxamide
CID 43906863
(2R)-2-methyl-1-methylsulfonyl-N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]-2,3-dihydroindole-5-carboxamide
CID 30464060
(2R)-2-methyl-1-methylsulfonyl-N-[(1R)-1-thiophen-2-ylethyl]-2,3-dihydroindole-5-carboxamide
CID 27754729
N-[(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 42884017
N-(2-fluorophenyl)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 17464594
(2S)-N-[(1S)-1-(3,4-dichlorophenyl)ethyl]-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 27784766
2-methyl-1-methylsulfonyl-N-phenyl-2,3-dihydroindole-5-carboxamide
CID 17018183
(2S)-1-(4-fluorophenyl)sulfonyl-2-methyl-N-[(1S)-1-phenylethyl]-2,3-dihydroindole-5-carboxamide
CID 92671117
2-methyl-N-(2-methyl-6-propan-2-ylphenyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 78808921
2-methyl-1-methylsulfonyl-N-[2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]-2,3-dihydroindole-5-carboxamide
CID 86970996
N-(3,4-difluorophenyl)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 51200327
(2S)-1-ethylsulfonyl-2-methyl-N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]-2,3-dihydroindole-5-carboxamide
CID 99962590

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-fluorophenyl)ethyl]-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide?
The IUPAC name of N-[1-(2-fluorophenyl)ethyl]-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide (CID 46821100) is N-[1-(2-fluorophenyl)ethyl]-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide.
What is the SMILES notation for N-[1-(2-fluorophenyl)ethyl]-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide?
The canonical SMILES for N-[1-(2-fluorophenyl)ethyl]-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide is CC(NC(=O)c1ccc2c(c1)CC(C)N2S(C)(=O)=O)c1ccccc1F.
What is the InChIKey of N-[1-(2-fluorophenyl)ethyl]-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide?
The InChIKey is KTJKYYRMFTYJRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O3S/c1-12-10-15-11-14(8-9-18(15)22(12)26(3,24)25)19(23)21-13(2)16-6-4-5-7-17(16)20/h4-9,11-13H,10H2,1-3H3,(H,21,23).
What are the key properties of N-[1-(2-fluorophenyl)ethyl]-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide?
N-[1-(2-fluorophenyl)ethyl]-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide has a molecular weight of 376.45 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-fluorophenyl)ethyl]-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide is sourced from PubChem (CID 46821100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).