N-[[1-(2,4-difluorophenyl)cyclopropyl]methyl]-2-pyridin-4-ylsulfanylacetamide

C17H16F2N2OS — CID 84592012

IUPACN-[[1-(2,4-difluorophenyl)cyclopropyl]methyl]-2-pyridin-4-ylsulfanylacetamide
SMILESO=C(CSc1ccncc1)NCC1(c2ccc(F)cc2F)CC1
InChIInChI=1S/C17H16F2N2OS/c18-12-1-2-14(15(19)9-12)17(5-6-17)11-21-16(22)10-23-13-3-7-20-8-4-13/h1-4,7-9H,5-6,10-11H2,(H,21,22)
InChIKeyHPEIZLFVRKJBIN-UHFFFAOYSA-N
MW334.39 g/mol
LogP3.30
Rot. Bonds6

About N-[[1-(2,4-difluorophenyl)cyclopropyl]methyl]-2-pyridin-4-ylsulfanylacetamide

N-[[1-(2,4-difluorophenyl)cyclopropyl]methyl]-2-pyridin-4-ylsulfanylacetamide (PubChem CID 84592012) has the molecular formula C17H16F2N2OS and a molecular weight of 334.39 g/mol. Its IUPAC name is N-[[1-(2,4-difluorophenyl)cyclopropyl]methyl]-2-pyridin-4-ylsulfanylacetamide.

Molecular Properties

Compound NameN-[[1-(2,4-difluorophenyl)cyclopropyl]methyl]-2-pyridin-4-ylsulfanylacetamide
PubChem CID84592012
Molecular FormulaC17H16F2N2OS
Molecular Weight334.39 g/mol
Exact Mass334.10
IUPAC NameN-[[1-(2,4-difluorophenyl)cyclopropyl]methyl]-2-pyridin-4-ylsulfanylacetamide
SMILESO=C(CSc1ccncc1)NCC1(c2ccc(F)cc2F)CC1
InChIInChI=1S/C17H16F2N2OS/c18-12-1-2-14(15(19)9-12)17(5-6-17)11-21-16(22)10-23-13-3-7-20-8-4-13/h1-4,7-9H,5-6,10-11H2,(H,21,22)
InChIKeyHPEIZLFVRKJBIN-UHFFFAOYSA-N
XLogP3.30
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.39
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-(3-fluorophenyl)cyclopentyl]methyl]-2-pyridin-4-ylsulfanylacetamide
CID 91797143
N-[[1-(2,4-difluorophenyl)cyclopropyl]methyl]-3-methyl-2-pyridin-4-ylbutanamide
CID 119036910
N-[[1-(2,4-difluorophenyl)cyclopropyl]methyl]-3-hydroxy-4-methylpentanamide
CID 75393986
ethyl N-[[1-(2,4-difluorophenyl)cyclopropyl]methyl]carbamate
CID 110479352
N-[(3-fluorophenyl)methyl]-2-pyridin-4-ylsulfanylacetamide
CID 86926259
(2R)-2-amino-N-[[1-(2,4-difluorophenyl)cyclopropyl]methyl]propanamide;hydrochloride
CID 120873749
4-[1-amino-2-[[1-(2,4-difluorophenyl)cyclopropyl]methylamino]-2-oxoethyl]-N-pyridin-4-ylpiperidine-1-carboxamide
CID 86762956
1-[[[2-(4-fluorophenyl)sulfanylacetyl]amino]methyl]cyclobutane-1-carboxylic acid
CID 81361689
(2S)-N-[[1-(2,4-difluorophenyl)cyclopropyl]methyl]-2-(4-methoxyphenyl)sulfanylpropanamide
CID 97064234
N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]-2-pyridin-4-ylsulfanylacetamide
CID 91783003
3-[[1-(2,4-difluorophenyl)cyclopropyl]methylcarbamoyl-methylamino]-2-methylpropanoic acid
CID 122008220
(3S)-3-(3-fluorophenyl)-N-[[1-(2-fluorophenyl)cyclopropyl]methyl]-3-hydroxypropanamide
CID 97057314

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2,4-difluorophenyl)cyclopropyl]methyl]-2-pyridin-4-ylsulfanylacetamide?
The IUPAC name of N-[[1-(2,4-difluorophenyl)cyclopropyl]methyl]-2-pyridin-4-ylsulfanylacetamide (CID 84592012) is N-[[1-(2,4-difluorophenyl)cyclopropyl]methyl]-2-pyridin-4-ylsulfanylacetamide.
What is the SMILES notation for N-[[1-(2,4-difluorophenyl)cyclopropyl]methyl]-2-pyridin-4-ylsulfanylacetamide?
The canonical SMILES for N-[[1-(2,4-difluorophenyl)cyclopropyl]methyl]-2-pyridin-4-ylsulfanylacetamide is O=C(CSc1ccncc1)NCC1(c2ccc(F)cc2F)CC1.
What is the InChIKey of N-[[1-(2,4-difluorophenyl)cyclopropyl]methyl]-2-pyridin-4-ylsulfanylacetamide?
The InChIKey is HPEIZLFVRKJBIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2N2OS/c18-12-1-2-14(15(19)9-12)17(5-6-17)11-21-16(22)10-23-13-3-7-20-8-4-13/h1-4,7-9H,5-6,10-11H2,(H,21,22).
What are the key properties of N-[[1-(2,4-difluorophenyl)cyclopropyl]methyl]-2-pyridin-4-ylsulfanylacetamide?
N-[[1-(2,4-difluorophenyl)cyclopropyl]methyl]-2-pyridin-4-ylsulfanylacetamide has a molecular weight of 334.39 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2,4-difluorophenyl)cyclopropyl]methyl]-2-pyridin-4-ylsulfanylacetamide is sourced from PubChem (CID 84592012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).