N-[2-(4-fluorophenyl)sulfonylethyl]-6,6-dimethyl-5-oxothiomorpholine-3-carboxamide

C15H19FN2O4S2 — CID 74245198

IUPACN-[2-(4-fluorophenyl)sulfonylethyl]-6,6-dimethyl-5-oxothiomorpholine-3-carboxamide
SMILESCC1(C)SCC(C(=O)NCCS(=O)(=O)c2ccc(F)cc2)NC1=O
InChIInChI=1S/C15H19FN2O4S2/c1-15(2)14(20)18-12(9-23-15)13(19)17-7-8-24(21,22)11-5-3-10(16)4-6-11/h3-6,12H,7-9H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyFUAZZEGAYKQMDX-UHFFFAOYSA-N
MW374.46 g/mol
LogP0.73
Rot. Bonds5

About N-[2-(4-fluorophenyl)sulfonylethyl]-6,6-dimethyl-5-oxothiomorpholine-3-carboxamide

N-[2-(4-fluorophenyl)sulfonylethyl]-6,6-dimethyl-5-oxothiomorpholine-3-carboxamide (PubChem CID 74245198) has the molecular formula C15H19FN2O4S2 and a molecular weight of 374.46 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)sulfonylethyl]-6,6-dimethyl-5-oxothiomorpholine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)sulfonylethyl]-6,6-dimethyl-5-oxothiomorpholine-3-carboxamide
PubChem CID74245198
Molecular FormulaC15H19FN2O4S2
Molecular Weight374.46 g/mol
Exact Mass374.08
IUPAC NameN-[2-(4-fluorophenyl)sulfonylethyl]-6,6-dimethyl-5-oxothiomorpholine-3-carboxamide
SMILESCC1(C)SCC(C(=O)NCCS(=O)(=O)c2ccc(F)cc2)NC1=O
InChIInChI=1S/C15H19FN2O4S2/c1-15(2)14(20)18-12(9-23-15)13(19)17-7-8-24(21,22)11-5-3-10(16)4-6-11/h3-6,12H,7-9H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyFUAZZEGAYKQMDX-UHFFFAOYSA-N
XLogP0.73
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.46
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 166951728
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CID 4878801
N-(1,1-dioxothiolan-3-yl)-2-(2-fluorophenyl)sulfanylacetamide
CID 16196693
N-[(2S)-1-(cyclopropylamino)-4-(methylsulfanyl)-1-oxobutan-2-yl]-1-(phenylsulfonyl)piperidine-4-carboxamide
CID 17584421
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CID 18512737
2-[(4-fluorophenyl)sulfonyl]-N-[2-(phenylsulfonyl)ethyl]acetamide
CID 2765508
2-[benzenesulfonyl(ethyl)amino]-N-(1,1-dioxothiolan-3-yl)acetamide
CID 4029352
N-(1,1-dioxothiolan-3-yl)-2-[ethyl-(4-fluorophenyl)sulfonylamino]acetamide
CID 4830029
(S)-2-Acetylamino-N-hydroxy-3-(4-phenylsulfanyl-benzenesulfonyl)-propionamide
CID 44324879
4-(2-((4-Fluorophenyl)sulfonyl)acetyl)-3,3-dimethylpiperazin-2-one
CID 16863849
4-(4-((4-Fluorophenyl)sulfonyl)butanoyl)-3,3-dimethylpiperazin-2-one
CID 16863882
N-[1-(4-fluorophenyl)sulfonylpiperidin-3-yl]propanamide
CID 24873502

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)sulfonylethyl]-6,6-dimethyl-5-oxothiomorpholine-3-carboxamide?
The IUPAC name of N-[2-(4-fluorophenyl)sulfonylethyl]-6,6-dimethyl-5-oxothiomorpholine-3-carboxamide (CID 74245198) is N-[2-(4-fluorophenyl)sulfonylethyl]-6,6-dimethyl-5-oxothiomorpholine-3-carboxamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)sulfonylethyl]-6,6-dimethyl-5-oxothiomorpholine-3-carboxamide?
The canonical SMILES for N-[2-(4-fluorophenyl)sulfonylethyl]-6,6-dimethyl-5-oxothiomorpholine-3-carboxamide is CC1(C)SCC(C(=O)NCCS(=O)(=O)c2ccc(F)cc2)NC1=O.
What is the InChIKey of N-[2-(4-fluorophenyl)sulfonylethyl]-6,6-dimethyl-5-oxothiomorpholine-3-carboxamide?
The InChIKey is FUAZZEGAYKQMDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O4S2/c1-15(2)14(20)18-12(9-23-15)13(19)17-7-8-24(21,22)11-5-3-10(16)4-6-11/h3-6,12H,7-9H2,1-2H3,(H,17,19)(H,18,20).
What are the key properties of N-[2-(4-fluorophenyl)sulfonylethyl]-6,6-dimethyl-5-oxothiomorpholine-3-carboxamide?
N-[2-(4-fluorophenyl)sulfonylethyl]-6,6-dimethyl-5-oxothiomorpholine-3-carboxamide has a molecular weight of 374.46 g/mol, XLogP of 0.73, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)sulfonylethyl]-6,6-dimethyl-5-oxothiomorpholine-3-carboxamide is sourced from PubChem (CID 74245198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).