2-(3,4-difluorophenyl)sulfanyl-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]acetamide

C20H22F2N2O2S — CID 8926696

IUPAC2-(3,4-difluorophenyl)sulfanyl-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]acetamide
SMILESO=C(CSc1ccc(F)c(F)c1)NCc1ccccc1CN1CCOCC1
InChIInChI=1S/C20H22F2N2O2S/c21-18-6-5-17(11-19(18)22)27-14-20(25)23-12-15-3-1-2-4-16(15)13-24-7-9-26-10-8-24/h1-6,11H,7-10,12-14H2,(H,23,25)
InChIKeyHCUNUICXBZDGRN-UHFFFAOYSA-N
MW392.47 g/mol
LogP3.21
Rot. Bonds7

About 2-(3,4-difluorophenyl)sulfanyl-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]acetamide

2-(3,4-difluorophenyl)sulfanyl-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]acetamide (PubChem CID 8926696) has the molecular formula C20H22F2N2O2S and a molecular weight of 392.47 g/mol. Its IUPAC name is 2-(3,4-difluorophenyl)sulfanyl-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-(3,4-difluorophenyl)sulfanyl-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]acetamide
PubChem CID8926696
Molecular FormulaC20H22F2N2O2S
Molecular Weight392.47 g/mol
Exact Mass392.14
IUPAC Name2-(3,4-difluorophenyl)sulfanyl-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]acetamide
SMILESO=C(CSc1ccc(F)c(F)c1)NCc1ccccc1CN1CCOCC1
InChIInChI=1S/C20H22F2N2O2S/c21-18-6-5-17(11-19(18)22)27-14-20(25)23-12-15-3-1-2-4-16(15)13-24-7-9-26-10-8-24/h1-6,11H,7-10,12-14H2,(H,23,25)
InChIKeyHCUNUICXBZDGRN-UHFFFAOYSA-N
XLogP3.21
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.47
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-chlorophenyl)sulfanyl-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]propanamide
CID 9481313
N-[(2-chlorophenyl)methyl]-2-(3,4-difluorophenyl)sulfanylacetamide
CID 7736953
2-(2-chlorophenyl)sulfanyl-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]acetamide
CID 51207846
3-(3,4-dimethylphenyl)sulfanyl-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]propanamide
CID 9481393
N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-3-phenylsulfanylpropanamide
CID 9481241
2-bromo-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]acetamide
CID 63679084
N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetamide
CID 39630789
2-(3,4-difluorophenyl)sulfanyl-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]acetamide
CID 18145207
2-phenylsulfanyl-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide
CID 9143003
2-(4-methylphenyl)-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]acetamide
CID 27887322
N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 39968410
[1-(morpholin-4-ylmethyl)naphthalen-2-yl] 2-(3,4-difluorophenyl)sulfanylacetate
CID 18204382

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluorophenyl)sulfanyl-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]acetamide?
The IUPAC name of 2-(3,4-difluorophenyl)sulfanyl-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]acetamide (CID 8926696) is 2-(3,4-difluorophenyl)sulfanyl-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]acetamide.
What is the SMILES notation for 2-(3,4-difluorophenyl)sulfanyl-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]acetamide?
The canonical SMILES for 2-(3,4-difluorophenyl)sulfanyl-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]acetamide is O=C(CSc1ccc(F)c(F)c1)NCc1ccccc1CN1CCOCC1.
What is the InChIKey of 2-(3,4-difluorophenyl)sulfanyl-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]acetamide?
The InChIKey is HCUNUICXBZDGRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F2N2O2S/c21-18-6-5-17(11-19(18)22)27-14-20(25)23-12-15-3-1-2-4-16(15)13-24-7-9-26-10-8-24/h1-6,11H,7-10,12-14H2,(H,23,25).
What are the key properties of 2-(3,4-difluorophenyl)sulfanyl-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]acetamide?
2-(3,4-difluorophenyl)sulfanyl-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]acetamide has a molecular weight of 392.47 g/mol, XLogP of 3.21, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluorophenyl)sulfanyl-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]acetamide is sourced from PubChem (CID 8926696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).