2-(3,4-difluorophenyl)sulfanyl-N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]acetamide

C19H27F2N2O2S+ — CID 8926567

IUPAC2-(3,4-difluorophenyl)sulfanyl-N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]acetamide
SMILESO=C(CSc1ccc(F)c(F)c1)NCC1([NH+]2CCOCC2)CCCCC1
InChIInChI=1S/C19H26F2N2O2S/c20-16-5-4-15(12-17(16)21)26-13-18(24)22-14-19(6-2-1-3-7-19)23-8-10-25-11-9-23/h4-5,12H,1-3,6-11,13-14H2,(H,22,24)/p+1
InChIKeyXNRYAJJRPXBJGI-UHFFFAOYSA-O
MW385.50 g/mol
LogP1.79
Rot. Bonds6

About 2-(3,4-difluorophenyl)sulfanyl-N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]acetamide

2-(3,4-difluorophenyl)sulfanyl-N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]acetamide (PubChem CID 8926567) has the molecular formula C19H27F2N2O2S+ and a molecular weight of 385.50 g/mol. Its IUPAC name is 2-(3,4-difluorophenyl)sulfanyl-N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]acetamide.

Molecular Properties

Compound Name2-(3,4-difluorophenyl)sulfanyl-N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]acetamide
PubChem CID8926567
Molecular FormulaC19H27F2N2O2S+
Molecular Weight385.50 g/mol
Exact Mass385.18
IUPAC Name2-(3,4-difluorophenyl)sulfanyl-N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]acetamide
SMILESO=C(CSc1ccc(F)c(F)c1)NCC1([NH+]2CCOCC2)CCCCC1
InChIInChI=1S/C19H26F2N2O2S/c20-16-5-4-15(12-17(16)21)26-13-18(24)22-14-19(6-2-1-3-7-19)23-8-10-25-11-9-23/h4-5,12H,1-3,6-11,13-14H2,(H,22,24)/p+1
InChIKeyXNRYAJJRPXBJGI-UHFFFAOYSA-O
XLogP1.79
TPSA42.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.50
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,4-difluorophenyl)sulfanyl-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]acetamide
CID 8926696
N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]-3-(phenylcarbamoylamino)propanamide
CID 9328554
2-(2-methylphenyl)sulfanyl-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]acetamide
CID 2481504
2-(3,4-difluorophenyl)sulfanyl-N-[3-(methylamino)propyl]acetamide
CID 119432812
2-(3,4-difluorophenyl)sulfanyl-N-methylacetamide
CID 60665693
N-(2-acetamidoethyl)-2-(3,4-difluorophenyl)sulfanylacetamide
CID 78811528
2-(3,4-difluorophenyl)sulfanyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)acetamide
CID 78810219
2-(3,4-difluorophenyl)sulfanyl-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]acetamide
CID 18145207
1-[4-(difluoromethylsulfanyl)phenyl]-3-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]thiourea
CID 8683527
N-(3,3-difluoro-2-hydroxypropyl)-2-(3,4-difluorophenyl)sulfanylacetamide
CID 103770230
2-(3,4-difluorophenyl)sulfanyl-N-(5-hydroxypentyl)acetamide
CID 107319095
2-(3,4-difluorophenyl)sulfanyl-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]acetamide
CID 55528029

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluorophenyl)sulfanyl-N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]acetamide?
The IUPAC name of 2-(3,4-difluorophenyl)sulfanyl-N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]acetamide (CID 8926567) is 2-(3,4-difluorophenyl)sulfanyl-N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]acetamide.
What is the SMILES notation for 2-(3,4-difluorophenyl)sulfanyl-N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]acetamide?
The canonical SMILES for 2-(3,4-difluorophenyl)sulfanyl-N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]acetamide is O=C(CSc1ccc(F)c(F)c1)NCC1([NH+]2CCOCC2)CCCCC1.
What is the InChIKey of 2-(3,4-difluorophenyl)sulfanyl-N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]acetamide?
The InChIKey is XNRYAJJRPXBJGI-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H26F2N2O2S/c20-16-5-4-15(12-17(16)21)26-13-18(24)22-14-19(6-2-1-3-7-19)23-8-10-25-11-9-23/h4-5,12H,1-3,6-11,13-14H2,(H,22,24)/p+1.
What are the key properties of 2-(3,4-difluorophenyl)sulfanyl-N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]acetamide?
2-(3,4-difluorophenyl)sulfanyl-N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]acetamide has a molecular weight of 385.50 g/mol, XLogP of 1.79, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluorophenyl)sulfanyl-N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]acetamide is sourced from PubChem (CID 8926567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).