2-(3-chloro-4-fluorophenyl)sulfanyl-N-[4-(morpholin-4-ium-4-ylmethyl)phenyl]acetamide

C19H21ClFN2O2S+ — CID 8680759

IUPAC2-(3-chloro-4-fluorophenyl)sulfanyl-N-[4-(morpholin-4-ium-4-ylmethyl)phenyl]acetamide
SMILESO=C(CSc1ccc(F)c(Cl)c1)Nc1ccc(C[NH+]2CCOCC2)cc1
InChIInChI=1S/C19H20ClFN2O2S/c20-17-11-16(5-6-18(17)21)26-13-19(24)22-15-3-1-14(2-4-15)12-23-7-9-25-10-8-23/h1-6,11H,7-10,12-13H2,(H,22,24)/p+1
InChIKeyGHTMLVIEZHNEIN-UHFFFAOYSA-O
MW395.91 g/mol
LogP2.62
Rot. Bonds6

About 2-(3-chloro-4-fluorophenyl)sulfanyl-N-[4-(morpholin-4-ium-4-ylmethyl)phenyl]acetamide

2-(3-chloro-4-fluorophenyl)sulfanyl-N-[4-(morpholin-4-ium-4-ylmethyl)phenyl]acetamide (PubChem CID 8680759) has the molecular formula C19H21ClFN2O2S+ and a molecular weight of 395.91 g/mol. Its IUPAC name is 2-(3-chloro-4-fluorophenyl)sulfanyl-N-[4-(morpholin-4-ium-4-ylmethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(3-chloro-4-fluorophenyl)sulfanyl-N-[4-(morpholin-4-ium-4-ylmethyl)phenyl]acetamide
PubChem CID8680759
Molecular FormulaC19H21ClFN2O2S+
Molecular Weight395.91 g/mol
Exact Mass395.10
IUPAC Name2-(3-chloro-4-fluorophenyl)sulfanyl-N-[4-(morpholin-4-ium-4-ylmethyl)phenyl]acetamide
SMILESO=C(CSc1ccc(F)c(Cl)c1)Nc1ccc(C[NH+]2CCOCC2)cc1
InChIInChI=1S/C19H20ClFN2O2S/c20-17-11-16(5-6-18(17)21)26-13-19(24)22-15-3-1-14(2-4-15)12-23-7-9-25-10-8-23/h1-6,11H,7-10,12-13H2,(H,22,24)/p+1
InChIKeyGHTMLVIEZHNEIN-UHFFFAOYSA-O
XLogP2.62
TPSA42.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.91
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chloro-4-fluorophenyl)sulfanyl-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 29479537
2-(3-chloro-4-fluorophenyl)sulfanyl-N-[4-(diethylsulfamoyl)phenyl]acetamide
CID 29479540
N-(3-chloro-4-fluorophenyl)-2-(4-nitrophenyl)sulfanylacetamide
CID 3354300
2-(4-chlorophenyl)sulfanyl-N-(4-fluorophenyl)acetamide
CID 738704
2-(3-chloro-4-fluorophenyl)sulfanyl-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 29479546
N-(3-chloro-4-fluorophenyl)-2-[(3,4-dichlorophenyl)methylsulfanyl]acetamide
CID 2798260
2-[[2-(3-chloro-4-fluorophenyl)sulfanylacetyl]-methylamino]-N-(4-methylphenyl)acetamide
CID 8680520
2-(4-acetamidophenyl)sulfanyl-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide
CID 26599953
2-(4-amino-3-fluorophenyl)sulfanyl-N-(3,4-dichlorophenyl)acetamide
CID 79130934
(E)-3-(2,4-dichlorophenyl)-N-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]carbamothioyl]prop-2-enamide
CID 2041498
2-(2,4-difluorophenyl)sulfanyl-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide
CID 8771186
N-(3-chloro-4-fluorophenyl)-2-[4-[(3,4-dimethoxyphenyl)methyl]piperazine-1,4-diium-1-yl]acetamide
CID 8720944

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-fluorophenyl)sulfanyl-N-[4-(morpholin-4-ium-4-ylmethyl)phenyl]acetamide?
The IUPAC name of 2-(3-chloro-4-fluorophenyl)sulfanyl-N-[4-(morpholin-4-ium-4-ylmethyl)phenyl]acetamide (CID 8680759) is 2-(3-chloro-4-fluorophenyl)sulfanyl-N-[4-(morpholin-4-ium-4-ylmethyl)phenyl]acetamide.
What is the SMILES notation for 2-(3-chloro-4-fluorophenyl)sulfanyl-N-[4-(morpholin-4-ium-4-ylmethyl)phenyl]acetamide?
The canonical SMILES for 2-(3-chloro-4-fluorophenyl)sulfanyl-N-[4-(morpholin-4-ium-4-ylmethyl)phenyl]acetamide is O=C(CSc1ccc(F)c(Cl)c1)Nc1ccc(C[NH+]2CCOCC2)cc1.
What is the InChIKey of 2-(3-chloro-4-fluorophenyl)sulfanyl-N-[4-(morpholin-4-ium-4-ylmethyl)phenyl]acetamide?
The InChIKey is GHTMLVIEZHNEIN-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H20ClFN2O2S/c20-17-11-16(5-6-18(17)21)26-13-19(24)22-15-3-1-14(2-4-15)12-23-7-9-25-10-8-23/h1-6,11H,7-10,12-13H2,(H,22,24)/p+1.
What are the key properties of 2-(3-chloro-4-fluorophenyl)sulfanyl-N-[4-(morpholin-4-ium-4-ylmethyl)phenyl]acetamide?
2-(3-chloro-4-fluorophenyl)sulfanyl-N-[4-(morpholin-4-ium-4-ylmethyl)phenyl]acetamide has a molecular weight of 395.91 g/mol, XLogP of 2.62, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-fluorophenyl)sulfanyl-N-[4-(morpholin-4-ium-4-ylmethyl)phenyl]acetamide is sourced from PubChem (CID 8680759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).