N-(3,5-difluoro-4-pyridinyl)-3-(1-methoxypropan-2-yloxy)-4-methylsulfanylbenzamide

C17H18F2N2O3S — CID 23204599

IUPACN-(3,5-difluoro-4-pyridinyl)-3-(1-methoxypropan-2-yloxy)-4-methylsulfanylbenzamide
SMILESCOCC(C)Oc1cc(C(=O)Nc2c(F)cncc2F)ccc1SC
InChIInChI=1S/C17H18F2N2O3S/c1-10(9-23-2)24-14-6-11(4-5-15(14)25-3)17(22)21-16-12(18)7-20-8-13(16)19/h4-8,10H,9H2,1-3H3,(H,20,21,22)
InChIKeyBQNWHWWJAZIKLG-UHFFFAOYSA-N
MW368.41 g/mol
LogP3.75
Rot. Bonds7

About N-(3,5-difluoro-4-pyridinyl)-3-(1-methoxypropan-2-yloxy)-4-methylsulfanylbenzamide

N-(3,5-difluoro-4-pyridinyl)-3-(1-methoxypropan-2-yloxy)-4-methylsulfanylbenzamide (PubChem CID 23204599) has the molecular formula C17H18F2N2O3S and a molecular weight of 368.41 g/mol. Its IUPAC name is N-(3,5-difluoro-4-pyridinyl)-3-(1-methoxypropan-2-yloxy)-4-methylsulfanylbenzamide.

Molecular Properties

Compound NameN-(3,5-difluoro-4-pyridinyl)-3-(1-methoxypropan-2-yloxy)-4-methylsulfanylbenzamide
PubChem CID23204599
Molecular FormulaC17H18F2N2O3S
Molecular Weight368.41 g/mol
Exact Mass368.10
IUPAC NameN-(3,5-difluoro-4-pyridinyl)-3-(1-methoxypropan-2-yloxy)-4-methylsulfanylbenzamide
SMILESCOCC(C)Oc1cc(C(=O)Nc2c(F)cncc2F)ccc1SC
InChIInChI=1S/C17H18F2N2O3S/c1-10(9-23-2)24-14-6-11(4-5-15(14)25-3)17(22)21-16-12(18)7-20-8-13(16)19/h4-8,10H,9H2,1-3H3,(H,20,21,22)
InChIKeyBQNWHWWJAZIKLG-UHFFFAOYSA-N
XLogP3.75
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.41
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,5-dichloro-4-pyridinyl)-4-methylsulfanyl-3-pentan-3-yloxybenzamide
CID 21187925
3-(2-methoxyethoxy)-4-methylsulfanylbenzoic acid
CID 23204630
5-N-(2,6-difluorophenyl)-3-N-(3-methoxypropyl)pyridine-3,5-dicarboxamide
CID 109103717
2-(3,5-dichloro-4-pyridinyl)-1-[4-(difluoromethoxy)-3-(1-methoxypropan-2-yloxy)phenyl]ethanone
CID 23204780
N-(3,5-dichloro-4-pyridinyl)-4-methylsulfanyl-3-(2-oxabicyclo[2.2.1]heptan-6-yloxy)benzamide
CID 54000194
3-fluoro-N-methyl-4-methylsulfanylbenzamide
CID 149067923
methyl 6-[[3-hydroxy-5-[(2S)-1-methoxypropan-2-yl]oxybenzoyl]amino]pyridine-3-carboxylate
CID 58852339
1-[3-fluoro-4-(4-methoxybutan-2-yloxy)phenyl]ethanone
CID 115687961
N-(2-chloropyrimidin-5-yl)-3-fluoro-4-propan-2-ylsulfanylbenzamide
CID 58845177
1-[4-methylsulfanyl-3-(trifluoromethoxy)phenyl]propan-1-one
CID 166640870
3-[(2S)-1-methoxypropan-2-yl]oxy-N-(1-methylpyrazol-3-yl)benzamide
CID 142693047
N-[(2S)-1-methoxypropan-2-yl]-4-methylsulfanyl-3-nitrobenzamide
CID 41377475

Frequently Asked Questions

What is the IUPAC name of N-(3,5-difluoro-4-pyridinyl)-3-(1-methoxypropan-2-yloxy)-4-methylsulfanylbenzamide?
The IUPAC name of N-(3,5-difluoro-4-pyridinyl)-3-(1-methoxypropan-2-yloxy)-4-methylsulfanylbenzamide (CID 23204599) is N-(3,5-difluoro-4-pyridinyl)-3-(1-methoxypropan-2-yloxy)-4-methylsulfanylbenzamide.
What is the SMILES notation for N-(3,5-difluoro-4-pyridinyl)-3-(1-methoxypropan-2-yloxy)-4-methylsulfanylbenzamide?
The canonical SMILES for N-(3,5-difluoro-4-pyridinyl)-3-(1-methoxypropan-2-yloxy)-4-methylsulfanylbenzamide is COCC(C)Oc1cc(C(=O)Nc2c(F)cncc2F)ccc1SC.
What is the InChIKey of N-(3,5-difluoro-4-pyridinyl)-3-(1-methoxypropan-2-yloxy)-4-methylsulfanylbenzamide?
The InChIKey is BQNWHWWJAZIKLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2N2O3S/c1-10(9-23-2)24-14-6-11(4-5-15(14)25-3)17(22)21-16-12(18)7-20-8-13(16)19/h4-8,10H,9H2,1-3H3,(H,20,21,22).
What are the key properties of N-(3,5-difluoro-4-pyridinyl)-3-(1-methoxypropan-2-yloxy)-4-methylsulfanylbenzamide?
N-(3,5-difluoro-4-pyridinyl)-3-(1-methoxypropan-2-yloxy)-4-methylsulfanylbenzamide has a molecular weight of 368.41 g/mol, XLogP of 3.75, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-difluoro-4-pyridinyl)-3-(1-methoxypropan-2-yloxy)-4-methylsulfanylbenzamide is sourced from PubChem (CID 23204599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).