N-(5-chloro-2-pyridinyl)-2-[2-(2,2,2-trifluoroethylsulfanyl)anilino]acetamide

C15H13ClF3N3OS — CID 78844370

IUPACN-(5-chloro-2-pyridinyl)-2-[2-(2,2,2-trifluoroethylsulfanyl)anilino]acetamide
SMILESO=C(CNc1ccccc1SCC(F)(F)F)Nc1ccc(Cl)cn1
InChIInChI=1S/C15H13ClF3N3OS/c16-10-5-6-13(21-7-10)22-14(23)8-20-11-3-1-2-4-12(11)24-9-15(17,18)19/h1-7,20H,8-9H2,(H,21,22,23)
InChIKeyISTWRCXNBMPMRD-UHFFFAOYSA-N
MW375.80 g/mol
LogP4.44
Rot. Bonds6

About N-(5-chloro-2-pyridinyl)-2-[2-(2,2,2-trifluoroethylsulfanyl)anilino]acetamide

N-(5-chloro-2-pyridinyl)-2-[2-(2,2,2-trifluoroethylsulfanyl)anilino]acetamide (PubChem CID 78844370) has the molecular formula C15H13ClF3N3OS and a molecular weight of 375.80 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-2-[2-(2,2,2-trifluoroethylsulfanyl)anilino]acetamide.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)-2-[2-(2,2,2-trifluoroethylsulfanyl)anilino]acetamide
PubChem CID78844370
Molecular FormulaC15H13ClF3N3OS
Molecular Weight375.80 g/mol
Exact Mass375.04
IUPAC NameN-(5-chloro-2-pyridinyl)-2-[2-(2,2,2-trifluoroethylsulfanyl)anilino]acetamide
SMILESO=C(CNc1ccccc1SCC(F)(F)F)Nc1ccc(Cl)cn1
InChIInChI=1S/C15H13ClF3N3OS/c16-10-5-6-13(21-7-10)22-14(23)8-20-11-3-1-2-4-12(11)24-9-15(17,18)19/h1-7,20H,8-9H2,(H,21,22,23)
InChIKeyISTWRCXNBMPMRD-UHFFFAOYSA-N
XLogP4.44
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.80
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-difluorophenyl)-2-[2-(2,2,2-trifluoroethylsulfanyl)anilino]acetamide
CID 46538030
N-(2-acetylphenyl)-2-[2-(2,2,2-trifluoroethylsulfanyl)anilino]acetamide
CID 46538000
methyl 2-[[2-[2-(2,2,2-trifluoroethylsulfanyl)anilino]acetyl]amino]benzoate
CID 43048401
N-(5-chloro-2-pyridinyl)-2-(2,3-dichloroanilino)acetamide
CID 78821308
N-(5-chloro-2-pyridinyl)-2-(2-methylphenyl)sulfanylacetamide
CID 34135048
4-chloro-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]benzamide
CID 16623224
N-(5-chloro-2-pyridinyl)-2-[2-(2-fluoroanilino)-2-oxoethyl]sulfanylacetamide
CID 2534109
2-chloro-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]acetamide
CID 43167988
2-(3-chloro-4-fluorophenoxy)-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]acetamide
CID 55556106
2-(benzylcarbamoylamino)-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]acetamide
CID 46419999
N-(5-chloro-2-pyridinyl)-2-pyridin-2-ylsulfanylacetamide
CID 3918454
N-(5-chloro-2-pyridinyl)-2-[2-(naphthalen-1-ylamino)-2-oxoethyl]sulfanylacetamide
CID 9456862

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyridinyl)-2-[2-(2,2,2-trifluoroethylsulfanyl)anilino]acetamide?
The IUPAC name of N-(5-chloro-2-pyridinyl)-2-[2-(2,2,2-trifluoroethylsulfanyl)anilino]acetamide (CID 78844370) is N-(5-chloro-2-pyridinyl)-2-[2-(2,2,2-trifluoroethylsulfanyl)anilino]acetamide.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)-2-[2-(2,2,2-trifluoroethylsulfanyl)anilino]acetamide?
The canonical SMILES for N-(5-chloro-2-pyridinyl)-2-[2-(2,2,2-trifluoroethylsulfanyl)anilino]acetamide is O=C(CNc1ccccc1SCC(F)(F)F)Nc1ccc(Cl)cn1.
What is the InChIKey of N-(5-chloro-2-pyridinyl)-2-[2-(2,2,2-trifluoroethylsulfanyl)anilino]acetamide?
The InChIKey is ISTWRCXNBMPMRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClF3N3OS/c16-10-5-6-13(21-7-10)22-14(23)8-20-11-3-1-2-4-12(11)24-9-15(17,18)19/h1-7,20H,8-9H2,(H,21,22,23).
What are the key properties of N-(5-chloro-2-pyridinyl)-2-[2-(2,2,2-trifluoroethylsulfanyl)anilino]acetamide?
N-(5-chloro-2-pyridinyl)-2-[2-(2,2,2-trifluoroethylsulfanyl)anilino]acetamide has a molecular weight of 375.80 g/mol, XLogP of 4.44, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-pyridinyl)-2-[2-(2,2,2-trifluoroethylsulfanyl)anilino]acetamide is sourced from PubChem (CID 78844370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).