2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-(3-morpholin-4-ylsulfonylphenyl)acetamide

C18H17ClF3N3O4S2 — CID 4968282

IUPAC2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-(3-morpholin-4-ylsulfonylphenyl)acetamide
SMILESO=C(CSc1ncc(C(F)(F)F)cc1Cl)Nc1cccc(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C18H17ClF3N3O4S2/c19-15-8-12(18(20,21)22)10-23-17(15)30-11-16(26)24-13-2-1-3-14(9-13)31(27,28)25-4-6-29-7-5-25/h1-3,8-10H,4-7,11H2,(H,24,26)
InChIKeyKMGLLARVFHRGGQ-UHFFFAOYSA-N
MW495.93 g/mol
LogP3.51
Rot. Bonds6

About 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-(3-morpholin-4-ylsulfonylphenyl)acetamide

2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-(3-morpholin-4-ylsulfonylphenyl)acetamide (PubChem CID 4968282) has the molecular formula C18H17ClF3N3O4S2 and a molecular weight of 495.93 g/mol. Its IUPAC name is 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-(3-morpholin-4-ylsulfonylphenyl)acetamide.

Molecular Properties

Compound Name2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-(3-morpholin-4-ylsulfonylphenyl)acetamide
PubChem CID4968282
Molecular FormulaC18H17ClF3N3O4S2
Molecular Weight495.93 g/mol
Exact Mass495.03
IUPAC Name2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-(3-morpholin-4-ylsulfonylphenyl)acetamide
SMILESO=C(CSc1ncc(C(F)(F)F)cc1Cl)Nc1cccc(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C18H17ClF3N3O4S2/c19-15-8-12(18(20,21)22)10-23-17(15)30-11-16(26)24-13-2-1-3-14(9-13)31(27,28)25-4-6-29-7-5-25/h1-3,8-10H,4-7,11H2,(H,24,26)
InChIKeyKMGLLARVFHRGGQ-UHFFFAOYSA-N
XLogP3.51
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.93
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-(Benzenesulfonyl)-1-piperazinyl]-2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]thio]ethanone
CID 2102778
2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-(3-sulfamoylphenyl)acetamide
CID 3594010
N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide
CID 4305177
N-(3-morpholin-4-ylsulfonylphenyl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanylpropanamide
CID 4528972
2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-[3-[methyl(phenyl)sulfamoyl]phenyl]acetamide
CID 4834371
N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetamide
CID 5139348
N-(3,4-difluorophenyl)-2-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)sulfanyl]acetamide
CID 16329756
1-[4-(4-Chlorophenyl)sulfonylpiperazin-1-yl]-2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethanone
CID 2100102
N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-pyridin-2-ylsulfanylacetamide
CID 4009656
2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-[5-(dimethylsulfamoyl)-2-methylphenyl]acetamide
CID 4157635
2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-[5-(diethylsulfamoyl)-2-methylphenyl]acetamide
CID 4352932
N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)-2-pyridin-2-ylsulfanylacetamide
CID 4432357

Frequently Asked Questions

What is the IUPAC name of 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-(3-morpholin-4-ylsulfonylphenyl)acetamide?
The IUPAC name of 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-(3-morpholin-4-ylsulfonylphenyl)acetamide (CID 4968282) is 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-(3-morpholin-4-ylsulfonylphenyl)acetamide.
What is the SMILES notation for 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-(3-morpholin-4-ylsulfonylphenyl)acetamide?
The canonical SMILES for 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-(3-morpholin-4-ylsulfonylphenyl)acetamide is O=C(CSc1ncc(C(F)(F)F)cc1Cl)Nc1cccc(S(=O)(=O)N2CCOCC2)c1.
What is the InChIKey of 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-(3-morpholin-4-ylsulfonylphenyl)acetamide?
The InChIKey is KMGLLARVFHRGGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClF3N3O4S2/c19-15-8-12(18(20,21)22)10-23-17(15)30-11-16(26)24-13-2-1-3-14(9-13)31(27,28)25-4-6-29-7-5-25/h1-3,8-10H,4-7,11H2,(H,24,26).
What are the key properties of 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-(3-morpholin-4-ylsulfonylphenyl)acetamide?
2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-(3-morpholin-4-ylsulfonylphenyl)acetamide has a molecular weight of 495.93 g/mol, XLogP of 3.51, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-(3-morpholin-4-ylsulfonylphenyl)acetamide is sourced from PubChem (CID 4968282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).