(3S)-4-ethyl-N-[3-(trifluoromethyl)phenyl]sulfonylmorpholine-3-carboxamide

C14H17F3N2O4S — CID 97257785

IUPAC(3S)-4-ethyl-N-[3-(trifluoromethyl)phenyl]sulfonylmorpholine-3-carboxamide
SMILESCCN1CCOC[C@H]1C(=O)NS(=O)(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H17F3N2O4S/c1-2-19-6-7-23-9-12(19)13(20)18-24(21,22)11-5-3-4-10(8-11)14(15,16)17/h3-5,8,12H,2,6-7,9H2,1H3,(H,18,20)/t12-/m0/s1
InChIKeyHBYAJDWLDFJNRY-LBPRGKRZSA-N
MW366.36 g/mol
LogP1.23
Rot. Bonds4

About (3S)-4-ethyl-N-[3-(trifluoromethyl)phenyl]sulfonylmorpholine-3-carboxamide

(3S)-4-ethyl-N-[3-(trifluoromethyl)phenyl]sulfonylmorpholine-3-carboxamide (PubChem CID 97257785) has the molecular formula C14H17F3N2O4S and a molecular weight of 366.36 g/mol. Its IUPAC name is (3S)-4-ethyl-N-[3-(trifluoromethyl)phenyl]sulfonylmorpholine-3-carboxamide.

Molecular Properties

Compound Name(3S)-4-ethyl-N-[3-(trifluoromethyl)phenyl]sulfonylmorpholine-3-carboxamide
PubChem CID97257785
Molecular FormulaC14H17F3N2O4S
Molecular Weight366.36 g/mol
Exact Mass366.09
IUPAC Name(3S)-4-ethyl-N-[3-(trifluoromethyl)phenyl]sulfonylmorpholine-3-carboxamide
SMILESCCN1CCOC[C@H]1C(=O)NS(=O)(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H17F3N2O4S/c1-2-19-6-7-23-9-12(19)13(20)18-24(21,22)11-5-3-4-10(8-11)14(15,16)17/h3-5,8,12H,2,6-7,9H2,1H3,(H,18,20)/t12-/m0/s1
InChIKeyHBYAJDWLDFJNRY-LBPRGKRZSA-N
XLogP1.23
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.36
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,5-dichlorothiophen-3-yl)sulfonyl-4-ethylmorpholine-3-carboxamide
CID 136530582
N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-3-(trifluoromethyl)benzenesulfonamide
CID 2574466
1-methyl-3-[3-(trifluoromethyl)phenyl]sulfonylurea
CID 23548404
N-[[(3R)-oxolan-3-yl]methyl]-3-(trifluoromethyl)benzenesulfonamide
CID 94061219
N-[2-(morpholine-4-carbonyl)phenyl]-3-(trifluoromethyl)benzenesulfonamide
CID 31813108
N-[[1-(oxolan-3-yl)piperidin-4-yl]methyl]-3-(trifluoromethyl)benzenesulfonamide
CID 119104068
2-[[3-(trifluoromethyl)phenyl]sulfonylmethyl]oxirane
CID 115474691
N-[3-(trifluoromethyl)phenyl]sulfonyl-2,3-dihydro-1,4-benzodioxine-5-carboxamide
CID 71883900
(3R)-N-[2-(3-chlorophenyl)ethyl]-4-ethylmorpholine-3-carboxamide
CID 97099885
N-[5-chloro-2-[(3R)-3-methylmorpholine-4-carbonyl]-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide
CID 69193710
1-cyclohexyl-3-[3-(trifluoromethyl)phenyl]sulfonylurea
CID 154259938
1-ethyl-N-[[4-[3-(trifluoromethyl)phenyl]oxan-4-yl]methyl]piperidine-2-carboxamide
CID 126770138

Frequently Asked Questions

What is the IUPAC name of (3S)-4-ethyl-N-[3-(trifluoromethyl)phenyl]sulfonylmorpholine-3-carboxamide?
The IUPAC name of (3S)-4-ethyl-N-[3-(trifluoromethyl)phenyl]sulfonylmorpholine-3-carboxamide (CID 97257785) is (3S)-4-ethyl-N-[3-(trifluoromethyl)phenyl]sulfonylmorpholine-3-carboxamide.
What is the SMILES notation for (3S)-4-ethyl-N-[3-(trifluoromethyl)phenyl]sulfonylmorpholine-3-carboxamide?
The canonical SMILES for (3S)-4-ethyl-N-[3-(trifluoromethyl)phenyl]sulfonylmorpholine-3-carboxamide is CCN1CCOC[C@H]1C(=O)NS(=O)(=O)c1cccc(C(F)(F)F)c1.
What is the InChIKey of (3S)-4-ethyl-N-[3-(trifluoromethyl)phenyl]sulfonylmorpholine-3-carboxamide?
The InChIKey is HBYAJDWLDFJNRY-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H17F3N2O4S/c1-2-19-6-7-23-9-12(19)13(20)18-24(21,22)11-5-3-4-10(8-11)14(15,16)17/h3-5,8,12H,2,6-7,9H2,1H3,(H,18,20)/t12-/m0/s1.
What are the key properties of (3S)-4-ethyl-N-[3-(trifluoromethyl)phenyl]sulfonylmorpholine-3-carboxamide?
(3S)-4-ethyl-N-[3-(trifluoromethyl)phenyl]sulfonylmorpholine-3-carboxamide has a molecular weight of 366.36 g/mol, XLogP of 1.23, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-4-ethyl-N-[3-(trifluoromethyl)phenyl]sulfonylmorpholine-3-carboxamide is sourced from PubChem (CID 97257785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).