2-[(5-chloro-2-pyridinyl)sulfanyl]-N-[4-(trifluoromethoxy)phenyl]propanamide

C15H12ClF3N2O2S — CID 112815696

IUPAC2-[(5-chloro-2-pyridinyl)sulfanyl]-N-[4-(trifluoromethoxy)phenyl]propanamide
SMILESCC(Sc1ccc(Cl)cn1)C(=O)Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C15H12ClF3N2O2S/c1-9(24-13-7-2-10(16)8-20-13)14(22)21-11-3-5-12(6-4-11)23-15(17,18)19/h2-9H,1H3,(H,21,22)
InChIKeySIFVRYLIYUMVSH-UHFFFAOYSA-N
MW376.79 g/mol
LogP4.75
Rot. Bonds5

About 2-[(5-chloro-2-pyridinyl)sulfanyl]-N-[4-(trifluoromethoxy)phenyl]propanamide

2-[(5-chloro-2-pyridinyl)sulfanyl]-N-[4-(trifluoromethoxy)phenyl]propanamide (PubChem CID 112815696) has the molecular formula C15H12ClF3N2O2S and a molecular weight of 376.79 g/mol. Its IUPAC name is 2-[(5-chloro-2-pyridinyl)sulfanyl]-N-[4-(trifluoromethoxy)phenyl]propanamide.

Molecular Properties

Compound Name2-[(5-chloro-2-pyridinyl)sulfanyl]-N-[4-(trifluoromethoxy)phenyl]propanamide
PubChem CID112815696
Molecular FormulaC15H12ClF3N2O2S
Molecular Weight376.79 g/mol
Exact Mass376.03
IUPAC Name2-[(5-chloro-2-pyridinyl)sulfanyl]-N-[4-(trifluoromethoxy)phenyl]propanamide
SMILESCC(Sc1ccc(Cl)cn1)C(=O)Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C15H12ClF3N2O2S/c1-9(24-13-7-2-10(16)8-20-13)14(22)21-11-3-5-12(6-4-11)23-15(17,18)19/h2-9H,1H3,(H,21,22)
InChIKeySIFVRYLIYUMVSH-UHFFFAOYSA-N
XLogP4.75
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.79
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(4-methylphenyl)-6-oxopyridazin-3-yl]sulfanyl-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 46383812
(2S)-2-chloro-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 2304863
2-thieno[3,2-d]pyrimidin-4-ylsulfanyl-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 18275346
2-[(5-chloro-2-pyridinyl)sulfanyl]-N-naphthalen-1-ylpropanamide
CID 112815636
(2S)-2-benzylsulfanyl-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 40753519
(2S)-2-[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 9487644
2-(1-phenyltetrazol-5-yl)sulfanyl-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 43025838
(2S)-2-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 8723260
(2S)-2-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 8910925
4-amino-2-methyl-N-[4-(trifluoromethoxy)phenyl]butanamide
CID 80542337
(2R)-2-[[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 9487495
N-(4-methoxyphenyl)-2-[1-[4-(trifluoromethoxy)phenyl]tetrazol-5-yl]sulfanylpropanamide
CID 24500522

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-2-pyridinyl)sulfanyl]-N-[4-(trifluoromethoxy)phenyl]propanamide?
The IUPAC name of 2-[(5-chloro-2-pyridinyl)sulfanyl]-N-[4-(trifluoromethoxy)phenyl]propanamide (CID 112815696) is 2-[(5-chloro-2-pyridinyl)sulfanyl]-N-[4-(trifluoromethoxy)phenyl]propanamide.
What is the SMILES notation for 2-[(5-chloro-2-pyridinyl)sulfanyl]-N-[4-(trifluoromethoxy)phenyl]propanamide?
The canonical SMILES for 2-[(5-chloro-2-pyridinyl)sulfanyl]-N-[4-(trifluoromethoxy)phenyl]propanamide is CC(Sc1ccc(Cl)cn1)C(=O)Nc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 2-[(5-chloro-2-pyridinyl)sulfanyl]-N-[4-(trifluoromethoxy)phenyl]propanamide?
The InChIKey is SIFVRYLIYUMVSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClF3N2O2S/c1-9(24-13-7-2-10(16)8-20-13)14(22)21-11-3-5-12(6-4-11)23-15(17,18)19/h2-9H,1H3,(H,21,22).
What are the key properties of 2-[(5-chloro-2-pyridinyl)sulfanyl]-N-[4-(trifluoromethoxy)phenyl]propanamide?
2-[(5-chloro-2-pyridinyl)sulfanyl]-N-[4-(trifluoromethoxy)phenyl]propanamide has a molecular weight of 376.79 g/mol, XLogP of 4.75, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloro-2-pyridinyl)sulfanyl]-N-[4-(trifluoromethoxy)phenyl]propanamide is sourced from PubChem (CID 112815696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).