(2S)-N-[2-(2-fluorophenyl)ethyl]-2-methyl-4-methylsulfonylmorpholine-2-carboxamide

C15H21FN2O4S — CID 125024983

IUPAC(2S)-N-[2-(2-fluorophenyl)ethyl]-2-methyl-4-methylsulfonylmorpholine-2-carboxamide
SMILESC[C@@]1(C(=O)NCCc2ccccc2F)CN(S(C)(=O)=O)CCO1
InChIInChI=1S/C15H21FN2O4S/c1-15(11-18(9-10-22-15)23(2,20)21)14(19)17-8-7-12-5-3-4-6-13(12)16/h3-6H,7-11H2,1-2H3,(H,17,19)/t15-/m0/s1
InChIKeyZJKLTTVCOFAOFG-HNNXBMFYSA-N
MW344.41 g/mol
LogP0.53
Rot. Bonds5

About (2S)-N-[2-(2-fluorophenyl)ethyl]-2-methyl-4-methylsulfonylmorpholine-2-carboxamide

(2S)-N-[2-(2-fluorophenyl)ethyl]-2-methyl-4-methylsulfonylmorpholine-2-carboxamide (PubChem CID 125024983) has the molecular formula C15H21FN2O4S and a molecular weight of 344.41 g/mol. Its IUPAC name is (2S)-N-[2-(2-fluorophenyl)ethyl]-2-methyl-4-methylsulfonylmorpholine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[2-(2-fluorophenyl)ethyl]-2-methyl-4-methylsulfonylmorpholine-2-carboxamide
PubChem CID125024983
Molecular FormulaC15H21FN2O4S
Molecular Weight344.41 g/mol
Exact Mass344.12
IUPAC Name(2S)-N-[2-(2-fluorophenyl)ethyl]-2-methyl-4-methylsulfonylmorpholine-2-carboxamide
SMILESC[C@@]1(C(=O)NCCc2ccccc2F)CN(S(C)(=O)=O)CCO1
InChIInChI=1S/C15H21FN2O4S/c1-15(11-18(9-10-22-15)23(2,20)21)14(19)17-8-7-12-5-3-4-6-13(12)16/h3-6H,7-11H2,1-2H3,(H,17,19)/t15-/m0/s1
InChIKeyZJKLTTVCOFAOFG-HNNXBMFYSA-N
XLogP0.53
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2S)-N-[2-(2-fluorophenyl)ethyl]-2-methyl-4-methylsulfonylmorpholine-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

Related Compounds

(2S)-N-[(4-fluorophenyl)methyl]-2-methyl-4-methylsulfonylmorpholine-2-carboxamide
CID 124977452
(2R)-2-methyl-4-methylsulfonyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]morpholine-2-carboxamide
CID 124982869
N-[(2,3-difluorophenyl)methyl]-2,4-dimethylmorpholine-2-carboxamide
CID 127247774
(2R)-N-benzyl-N,2-dimethyl-4-methylsulfonylmorpholine-2-carboxamide
CID 124940760
1-amino-N-[2-(2-fluorophenyl)ethyl]cyclopropane-1-carboxamide
CID 65463974
1-N-[2-(2-fluorophenyl)ethyl]-1-N'-(2-morpholin-4-ylethyl)cyclopropane-1,1-dicarboxamide
CID 108973603
1-amino-N-[2-(2-fluorophenyl)ethyl]cyclopentane-1-carboxamide
CID 60867022
3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-[2-(2-fluorophenyl)ethyl]-2,2-dimethyl-3-oxopropanamide
CID 108964051
2-(4-acetylpiperazin-1-yl)-N-[2-(2-fluorophenyl)ethyl]-2-oxoacetamide
CID 108984477
N-[2-(2-fluorophenyl)ethyl]propanamide
CID 22380876
4-acetyl-2-methyl-N-(2-pyridin-4-ylethyl)morpholine-2-carboxamide
CID 110094656
1-acetyl-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide
CID 9268566

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[2-(2-fluorophenyl)ethyl]-2-methyl-4-methylsulfonylmorpholine-2-carboxamide?
The IUPAC name of (2S)-N-[2-(2-fluorophenyl)ethyl]-2-methyl-4-methylsulfonylmorpholine-2-carboxamide (CID 125024983) is (2S)-N-[2-(2-fluorophenyl)ethyl]-2-methyl-4-methylsulfonylmorpholine-2-carboxamide.
What is the SMILES notation for (2S)-N-[2-(2-fluorophenyl)ethyl]-2-methyl-4-methylsulfonylmorpholine-2-carboxamide?
The canonical SMILES for (2S)-N-[2-(2-fluorophenyl)ethyl]-2-methyl-4-methylsulfonylmorpholine-2-carboxamide is C[C@@]1(C(=O)NCCc2ccccc2F)CN(S(C)(=O)=O)CCO1.
What is the InChIKey of (2S)-N-[2-(2-fluorophenyl)ethyl]-2-methyl-4-methylsulfonylmorpholine-2-carboxamide?
The InChIKey is ZJKLTTVCOFAOFG-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H21FN2O4S/c1-15(11-18(9-10-22-15)23(2,20)21)14(19)17-8-7-12-5-3-4-6-13(12)16/h3-6H,7-11H2,1-2H3,(H,17,19)/t15-/m0/s1.
What are the key properties of (2S)-N-[2-(2-fluorophenyl)ethyl]-2-methyl-4-methylsulfonylmorpholine-2-carboxamide?
(2S)-N-[2-(2-fluorophenyl)ethyl]-2-methyl-4-methylsulfonylmorpholine-2-carboxamide has a molecular weight of 344.41 g/mol, XLogP of 0.53, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[2-(2-fluorophenyl)ethyl]-2-methyl-4-methylsulfonylmorpholine-2-carboxamide is sourced from PubChem (CID 125024983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).