(1R,2R,4R)-2-(morpholine-4-carbonyl)-4-[2-(trifluoromethyl)phenyl]sulfonylcyclopentane-1-carboxamide

C18H21F3N2O5S — CID 70194940

IUPAC(1R,2R,4R)-2-(morpholine-4-carbonyl)-4-[2-(trifluoromethyl)phenyl]sulfonylcyclopentane-1-carboxamide
SMILESNC(=O)[C@@H]1C[C@@H](S(=O)(=O)c2ccccc2C(F)(F)F)C[C@H]1C(=O)N1CCOCC1
InChIInChI=1S/C18H21F3N2O5S/c19-18(20,21)14-3-1-2-4-15(14)29(26,27)11-9-12(16(22)24)13(10-11)17(25)23-5-7-28-8-6-23/h1-4,11-13H,5-10H2,(H2,22,24)/t11-,12-,13-/m1/s1
InChIKeyBXBYAOSLNRRTJW-JHJVBQTASA-N
MW434.44 g/mol
LogP1.22
Rot. Bonds4

About (1R,2R,4R)-2-(morpholine-4-carbonyl)-4-[2-(trifluoromethyl)phenyl]sulfonylcyclopentane-1-carboxamide

(1R,2R,4R)-2-(morpholine-4-carbonyl)-4-[2-(trifluoromethyl)phenyl]sulfonylcyclopentane-1-carboxamide (PubChem CID 70194940) has the molecular formula C18H21F3N2O5S and a molecular weight of 434.44 g/mol. Its IUPAC name is (1R,2R,4R)-2-(morpholine-4-carbonyl)-4-[2-(trifluoromethyl)phenyl]sulfonylcyclopentane-1-carboxamide.

Molecular Properties

Compound Name(1R,2R,4R)-2-(morpholine-4-carbonyl)-4-[2-(trifluoromethyl)phenyl]sulfonylcyclopentane-1-carboxamide
PubChem CID70194940
Molecular FormulaC18H21F3N2O5S
Molecular Weight434.44 g/mol
Exact Mass434.11
IUPAC Name(1R,2R,4R)-2-(morpholine-4-carbonyl)-4-[2-(trifluoromethyl)phenyl]sulfonylcyclopentane-1-carboxamide
SMILESNC(=O)[C@@H]1C[C@@H](S(=O)(=O)c2ccccc2C(F)(F)F)C[C@H]1C(=O)N1CCOCC1
InChIInChI=1S/C18H21F3N2O5S/c19-18(20,21)14-3-1-2-4-15(14)29(26,27)11-9-12(16(22)24)13(10-11)17(25)23-5-7-28-8-6-23/h1-4,11-13H,5-10H2,(H2,22,24)/t11-,12-,13-/m1/s1
InChIKeyBXBYAOSLNRRTJW-JHJVBQTASA-N
XLogP1.22
TPSA106.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.44
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (1R,2R,4R)-2-(morpholine-4-carbonyl)-4-[2-(trifluoromethyl)phenyl]sulfonylcyclopentane-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

2-amino-1-[4-[2-(trifluoromethyl)phenyl]sulfonylpiperidin-1-yl]ethanone
CID 67479866
[(1S,2R)-2-methylcyclopropyl]-[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methanone
CID 8925234
methyl (1S,2S,4S)-2-methoxy-4-[2-(trifluoromethyl)phenyl]sulfonylcyclopentane-1-carboxylate
CID 66918696
(1R,2R,4R)-4-benzylsulfonyl-2-(morpholine-4-carbonyl)cyclopentane-1-carboxylic acid
CID 142763383
N-[(2S)-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]-1-oxopropan-2-yl]-2-(trifluoromethyl)benzenesulfonamide
CID 55938474
(1S,2S,4S)-2-methoxy-4-[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]sulfonylcyclopentane-1-carboxylic acid
CID 68793905
[(2S,4S)-4-(2-chlorophenyl)sulfonylpyrrolidin-2-yl]-morpholin-4-ylmethanone
CID 69169535
(1R,2R,4R)-2-cyclobutyloxy-4-[2-(trifluoromethyl)phenyl]sulfonylcyclopentane-1-carboxylic acid
CID 68793906
morpholin-4-yl-[(15R)-15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl]methanone
CID 819622
1-[(1S,3S)-3-methoxycyclopentyl]sulfonyl-2-(trifluoromethyl)benzene
CID 90106963
1-[2-(trifluoromethyl)phenyl]sulfonylpyrrolidine-2-carboxamide
CID 60519923
lithium;hydride;4-[2-(trifluoromethyl)phenyl]sulfonylcyclopentene-1-carboxylic acid
CID 173031965

Frequently Asked Questions

What is the IUPAC name of (1R,2R,4R)-2-(morpholine-4-carbonyl)-4-[2-(trifluoromethyl)phenyl]sulfonylcyclopentane-1-carboxamide?
The IUPAC name of (1R,2R,4R)-2-(morpholine-4-carbonyl)-4-[2-(trifluoromethyl)phenyl]sulfonylcyclopentane-1-carboxamide (CID 70194940) is (1R,2R,4R)-2-(morpholine-4-carbonyl)-4-[2-(trifluoromethyl)phenyl]sulfonylcyclopentane-1-carboxamide.
What is the SMILES notation for (1R,2R,4R)-2-(morpholine-4-carbonyl)-4-[2-(trifluoromethyl)phenyl]sulfonylcyclopentane-1-carboxamide?
The canonical SMILES for (1R,2R,4R)-2-(morpholine-4-carbonyl)-4-[2-(trifluoromethyl)phenyl]sulfonylcyclopentane-1-carboxamide is NC(=O)[C@@H]1C[C@@H](S(=O)(=O)c2ccccc2C(F)(F)F)C[C@H]1C(=O)N1CCOCC1.
What is the InChIKey of (1R,2R,4R)-2-(morpholine-4-carbonyl)-4-[2-(trifluoromethyl)phenyl]sulfonylcyclopentane-1-carboxamide?
The InChIKey is BXBYAOSLNRRTJW-JHJVBQTASA-N. The full InChI is InChI=1S/C18H21F3N2O5S/c19-18(20,21)14-3-1-2-4-15(14)29(26,27)11-9-12(16(22)24)13(10-11)17(25)23-5-7-28-8-6-23/h1-4,11-13H,5-10H2,(H2,22,24)/t11-,12-,13-/m1/s1.
What are the key properties of (1R,2R,4R)-2-(morpholine-4-carbonyl)-4-[2-(trifluoromethyl)phenyl]sulfonylcyclopentane-1-carboxamide?
(1R,2R,4R)-2-(morpholine-4-carbonyl)-4-[2-(trifluoromethyl)phenyl]sulfonylcyclopentane-1-carboxamide has a molecular weight of 434.44 g/mol, XLogP of 1.22, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,4R)-2-(morpholine-4-carbonyl)-4-[2-(trifluoromethyl)phenyl]sulfonylcyclopentane-1-carboxamide is sourced from PubChem (CID 70194940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).