N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[(3-cyano-2-pyridinyl)sulfanyl]acetamide

C15H9ClF3N3OS — CID 17186377

IUPACN-[2-chloro-5-(trifluoromethyl)phenyl]-2-[(3-cyano-2-pyridinyl)sulfanyl]acetamide
SMILESN#Cc1cccnc1SCC(=O)Nc1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C15H9ClF3N3OS/c16-11-4-3-10(15(17,18)19)6-12(11)22-13(23)8-24-14-9(7-20)2-1-5-21-14/h1-6H,8H2,(H,22,23)
InChIKeyDGSMNDMMWZQHDX-UHFFFAOYSA-N
MW371.77 g/mol
LogP4.36
Rot. Bonds4

About N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[(3-cyano-2-pyridinyl)sulfanyl]acetamide

N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[(3-cyano-2-pyridinyl)sulfanyl]acetamide (PubChem CID 17186377) has the molecular formula C15H9ClF3N3OS and a molecular weight of 371.77 g/mol. Its IUPAC name is N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[(3-cyano-2-pyridinyl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-[2-chloro-5-(trifluoromethyl)phenyl]-2-[(3-cyano-2-pyridinyl)sulfanyl]acetamide
PubChem CID17186377
Molecular FormulaC15H9ClF3N3OS
Molecular Weight371.77 g/mol
Exact Mass371.01
IUPAC NameN-[2-chloro-5-(trifluoromethyl)phenyl]-2-[(3-cyano-2-pyridinyl)sulfanyl]acetamide
SMILESN#Cc1cccnc1SCC(=O)Nc1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C15H9ClF3N3OS/c16-11-4-3-10(15(17,18)19)6-12(11)22-13(23)8-24-14-9(7-20)2-1-5-21-14/h1-6H,8H2,(H,22,23)
InChIKeyDGSMNDMMWZQHDX-UHFFFAOYSA-N
XLogP4.36
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.77
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-cyano-2-pyridinyl)sulfanyl]-N-(3,4-dichlorophenyl)acetamide
CID 17186421
N'-[2-chloro-5-(trifluoromethyl)phenyl]-N-(2-cyanophenyl)propanediamide
CID 108956408
2-[(3-cyano-2-pyridinyl)sulfanyl]-N-(2,4-difluorophenyl)acetamide
CID 53364696
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(1-phenylimidazol-2-yl)sulfanylacetamide
CID 5183580
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[[3-cyano-4-(methoxymethyl)-6-methyl-2-pyridinyl]sulfanyl]acetamide
CID 1288114
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[[3-cyano-6-(4-methylphenyl)-4-phenyl-2-pyridinyl]sulfanyl]acetamide
CID 3122398
2-[(2-bromophenyl)methylsulfanyl]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
CID 1315867
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-naphthalen-2-ylsulfanylacetamide
CID 7402973
2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-(2,5-dichlorophenyl)acetamide
CID 2388407
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(6-pyrazol-1-ylpyridazin-3-yl)sulfanylacetamide
CID 56766242
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(2-methylpropylsulfanyl)acetamide
CID 112779384
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetamide
CID 16896870

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[(3-cyano-2-pyridinyl)sulfanyl]acetamide?
The IUPAC name of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[(3-cyano-2-pyridinyl)sulfanyl]acetamide (CID 17186377) is N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[(3-cyano-2-pyridinyl)sulfanyl]acetamide.
What is the SMILES notation for N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[(3-cyano-2-pyridinyl)sulfanyl]acetamide?
The canonical SMILES for N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[(3-cyano-2-pyridinyl)sulfanyl]acetamide is N#Cc1cccnc1SCC(=O)Nc1cc(C(F)(F)F)ccc1Cl.
What is the InChIKey of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[(3-cyano-2-pyridinyl)sulfanyl]acetamide?
The InChIKey is DGSMNDMMWZQHDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClF3N3OS/c16-11-4-3-10(15(17,18)19)6-12(11)22-13(23)8-24-14-9(7-20)2-1-5-21-14/h1-6H,8H2,(H,22,23).
What are the key properties of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[(3-cyano-2-pyridinyl)sulfanyl]acetamide?
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[(3-cyano-2-pyridinyl)sulfanyl]acetamide has a molecular weight of 371.77 g/mol, XLogP of 4.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[(3-cyano-2-pyridinyl)sulfanyl]acetamide is sourced from PubChem (CID 17186377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).