4-amino-N-[2-(2,2-difluoroethylsulfanyl)-5-(trifluoromethyl)phenyl]pentanamide

C14H17F5N2OS — CID 120563046

IUPAC4-amino-N-[2-(2,2-difluoroethylsulfanyl)-5-(trifluoromethyl)phenyl]pentanamide
SMILESCC(N)CCC(=O)Nc1cc(C(F)(F)F)ccc1SCC(F)F
InChIInChI=1S/C14H17F5N2OS/c1-8(20)2-5-13(22)21-10-6-9(14(17,18)19)3-4-11(10)23-7-12(15)16/h3-4,6,8,12H,2,5,7,20H2,1H3,(H,21,22)
InChIKeyJVQSPDQUVSDVDQ-UHFFFAOYSA-N
MW356.36 g/mol
LogP4.13
Rot. Bonds7

About 4-amino-N-[2-(2,2-difluoroethylsulfanyl)-5-(trifluoromethyl)phenyl]pentanamide

4-amino-N-[2-(2,2-difluoroethylsulfanyl)-5-(trifluoromethyl)phenyl]pentanamide (PubChem CID 120563046) has the molecular formula C14H17F5N2OS and a molecular weight of 356.36 g/mol. Its IUPAC name is 4-amino-N-[2-(2,2-difluoroethylsulfanyl)-5-(trifluoromethyl)phenyl]pentanamide.

Molecular Properties

Compound Name4-amino-N-[2-(2,2-difluoroethylsulfanyl)-5-(trifluoromethyl)phenyl]pentanamide
PubChem CID120563046
Molecular FormulaC14H17F5N2OS
Molecular Weight356.36 g/mol
Exact Mass356.10
IUPAC Name4-amino-N-[2-(2,2-difluoroethylsulfanyl)-5-(trifluoromethyl)phenyl]pentanamide
SMILESCC(N)CCC(=O)Nc1cc(C(F)(F)F)ccc1SCC(F)F
InChIInChI=1S/C14H17F5N2OS/c1-8(20)2-5-13(22)21-10-6-9(14(17,18)19)3-4-11(10)23-7-12(15)16/h3-4,6,8,12H,2,5,7,20H2,1H3,(H,21,22)
InChIKeyJVQSPDQUVSDVDQ-UHFFFAOYSA-N
XLogP4.13
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.36
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2,2-difluoroethylsulfanyl)-5-(trifluoromethyl)phenyl]-4-(methylamino)butanamide;hydrochloride
CID 119795133
4-amino-N-[2-fluoro-5-(trifluoromethyl)phenyl]pentanamide;hydrochloride
CID 120559768
4-amino-N-[2-propoxy-5-(trifluoromethyl)phenyl]pentanamide;hydrochloride
CID 120558845
N-[2-bromo-5-(trifluoromethyl)phenyl]-4-methylpentanamide
CID 114042936
N-[2-acetamido-5-(trifluoromethyl)phenyl]-4-methylpentanamide
CID 48524701
5-amino-N-[2-fluoro-5-(trifluoromethyl)phenyl]-4-methylpentanamide
CID 82010864
(2S,5R)-5-(aminomethyl)-N-[2-(2,2-difluoroethylsulfanyl)-5-(trifluoromethyl)phenyl]oxolane-2-carboxamide;hydrochloride
CID 120794177
N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-4-methylpentanamide
CID 112766856
N-[2-(2,2-difluoroethylsulfanyl)-5-fluorophenyl]-2-(methylamino)acetamide
CID 119795114
N-[2-amino-4-(trifluoromethyl)phenyl]-3-propan-2-ylsulfanylpropanamide
CID 60886809
3-amino-N-[2-methyl-5-(trifluoromethyl)phenyl]propanamide;hydrochloride
CID 119280151
4-amino-N-[2-methyl-1-[3-(trifluoromethyl)phenyl]propyl]pentanamide;hydrochloride
CID 120562077

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-(2,2-difluoroethylsulfanyl)-5-(trifluoromethyl)phenyl]pentanamide?
The IUPAC name of 4-amino-N-[2-(2,2-difluoroethylsulfanyl)-5-(trifluoromethyl)phenyl]pentanamide (CID 120563046) is 4-amino-N-[2-(2,2-difluoroethylsulfanyl)-5-(trifluoromethyl)phenyl]pentanamide.
What is the SMILES notation for 4-amino-N-[2-(2,2-difluoroethylsulfanyl)-5-(trifluoromethyl)phenyl]pentanamide?
The canonical SMILES for 4-amino-N-[2-(2,2-difluoroethylsulfanyl)-5-(trifluoromethyl)phenyl]pentanamide is CC(N)CCC(=O)Nc1cc(C(F)(F)F)ccc1SCC(F)F.
What is the InChIKey of 4-amino-N-[2-(2,2-difluoroethylsulfanyl)-5-(trifluoromethyl)phenyl]pentanamide?
The InChIKey is JVQSPDQUVSDVDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F5N2OS/c1-8(20)2-5-13(22)21-10-6-9(14(17,18)19)3-4-11(10)23-7-12(15)16/h3-4,6,8,12H,2,5,7,20H2,1H3,(H,21,22).
What are the key properties of 4-amino-N-[2-(2,2-difluoroethylsulfanyl)-5-(trifluoromethyl)phenyl]pentanamide?
4-amino-N-[2-(2,2-difluoroethylsulfanyl)-5-(trifluoromethyl)phenyl]pentanamide has a molecular weight of 356.36 g/mol, XLogP of 4.13, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-(2,2-difluoroethylsulfanyl)-5-(trifluoromethyl)phenyl]pentanamide is sourced from PubChem (CID 120563046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).