3-ethyl-N-(2-ethylsulfonyl-4-fluorophenyl)pyrrolidine-1-carboxamide

C15H21FN2O3S — CID 86791253

IUPAC3-ethyl-N-(2-ethylsulfonyl-4-fluorophenyl)pyrrolidine-1-carboxamide
SMILESCCC1CCN(C(=O)Nc2ccc(F)cc2S(=O)(=O)CC)C1
InChIInChI=1S/C15H21FN2O3S/c1-3-11-7-8-18(10-11)15(19)17-13-6-5-12(16)9-14(13)22(20,21)4-2/h5-6,9,11H,3-4,7-8,10H2,1-2H3,(H,17,19)
InChIKeyPLLYTDXBVQOTNM-UHFFFAOYSA-N
MW328.41 g/mol
LogP2.88
Rot. Bonds4

About 3-ethyl-N-(2-ethylsulfonyl-4-fluorophenyl)pyrrolidine-1-carboxamide

3-ethyl-N-(2-ethylsulfonyl-4-fluorophenyl)pyrrolidine-1-carboxamide (PubChem CID 86791253) has the molecular formula C15H21FN2O3S and a molecular weight of 328.41 g/mol. Its IUPAC name is 3-ethyl-N-(2-ethylsulfonyl-4-fluorophenyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name3-ethyl-N-(2-ethylsulfonyl-4-fluorophenyl)pyrrolidine-1-carboxamide
PubChem CID86791253
Molecular FormulaC15H21FN2O3S
Molecular Weight328.41 g/mol
Exact Mass328.13
IUPAC Name3-ethyl-N-(2-ethylsulfonyl-4-fluorophenyl)pyrrolidine-1-carboxamide
SMILESCCC1CCN(C(=O)Nc2ccc(F)cc2S(=O)(=O)CC)C1
InChIInChI=1S/C15H21FN2O3S/c1-3-11-7-8-18(10-11)15(19)17-13-6-5-12(16)9-14(13)22(20,21)4-2/h5-6,9,11H,3-4,7-8,10H2,1-2H3,(H,17,19)
InChIKeyPLLYTDXBVQOTNM-UHFFFAOYSA-N
XLogP2.88
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-ethyl-N-(2-ethylsulfonyl-4-fluorophenyl)pyrrolidine-1-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

(5S)-N-(2-ethylsulfonyl-4-fluorophenyl)-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide
CID 164633233
(3S)-N-(2,4-difluorophenyl)-3-(methylsulfonylmethyl)piperidine-1-carboxamide
CID 97271544
5-fluoro-2-[[3-(methoxymethyl)pyrrolidine-1-carbonyl]amino]benzoic acid
CID 64599438
4-fluoro-2-[[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]amino]benzoic acid
CID 114799068
1-(2-ethylsulfonyl-4-fluorophenyl)-3-(2-methylcyclopropyl)urea
CID 75522528
4-(2-aminoethyl)-N-(2,4-difluorophenyl)piperidine-1-carboxamide
CID 56773384
(3S)-N-(2,4-difluorophenyl)-3-[(dimethylamino)methyl]piperidine-1-carboxamide
CID 94797423
(3R)-N-[2-(4-chlorophenyl)-4-fluorophenyl]-3-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 129393354
4-(2-aminoethyl)-N-(2,5-difluorophenyl)piperidine-1-carboxamide;dihydrochloride
CID 155823379
(3R)-N-(2-cyclopentyloxy-4-fluorophenyl)-3-[(dimethylamino)methyl]pyrrolidine-1-carboxamide
CID 99856429
(3S)-N-(2-ethoxy-4-fluorophenyl)-3-hydroxypyrrolidine-1-carboxamide
CID 111431407
(3R)-3-amino-N-(2,4-difluorophenyl)piperidine-1-carboxamide
CID 102984073

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-(2-ethylsulfonyl-4-fluorophenyl)pyrrolidine-1-carboxamide?
The IUPAC name of 3-ethyl-N-(2-ethylsulfonyl-4-fluorophenyl)pyrrolidine-1-carboxamide (CID 86791253) is 3-ethyl-N-(2-ethylsulfonyl-4-fluorophenyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for 3-ethyl-N-(2-ethylsulfonyl-4-fluorophenyl)pyrrolidine-1-carboxamide?
The canonical SMILES for 3-ethyl-N-(2-ethylsulfonyl-4-fluorophenyl)pyrrolidine-1-carboxamide is CCC1CCN(C(=O)Nc2ccc(F)cc2S(=O)(=O)CC)C1.
What is the InChIKey of 3-ethyl-N-(2-ethylsulfonyl-4-fluorophenyl)pyrrolidine-1-carboxamide?
The InChIKey is PLLYTDXBVQOTNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O3S/c1-3-11-7-8-18(10-11)15(19)17-13-6-5-12(16)9-14(13)22(20,21)4-2/h5-6,9,11H,3-4,7-8,10H2,1-2H3,(H,17,19).
What are the key properties of 3-ethyl-N-(2-ethylsulfonyl-4-fluorophenyl)pyrrolidine-1-carboxamide?
3-ethyl-N-(2-ethylsulfonyl-4-fluorophenyl)pyrrolidine-1-carboxamide has a molecular weight of 328.41 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-(2-ethylsulfonyl-4-fluorophenyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 86791253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).