N-(2,5-dimethoxyphenyl)-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]propanamide

C16H20N2O4S — CID 86931322

IUPACN-(2,5-dimethoxyphenyl)-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]propanamide
SMILESCOc1ccc(OC)c(NC(=O)C(C)SCc2cc(C)on2)c1
InChIInChI=1S/C16H20N2O4S/c1-10-7-12(18-22-10)9-23-11(2)16(19)17-14-8-13(20-3)5-6-15(14)21-4/h5-8,11H,9H2,1-4H3,(H,17,19)
InChIKeyGGMPNFRIQSLFFA-UHFFFAOYSA-N
MW336.41 g/mol
LogP3.26
Rot. Bonds7

About N-(2,5-dimethoxyphenyl)-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]propanamide

N-(2,5-dimethoxyphenyl)-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]propanamide (PubChem CID 86931322) has the molecular formula C16H20N2O4S and a molecular weight of 336.41 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]propanamide.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]propanamide
PubChem CID86931322
Molecular FormulaC16H20N2O4S
Molecular Weight336.41 g/mol
Exact Mass336.11
IUPAC NameN-(2,5-dimethoxyphenyl)-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]propanamide
SMILESCOc1ccc(OC)c(NC(=O)C(C)SCc2cc(C)on2)c1
InChIInChI=1S/C16H20N2O4S/c1-10-7-12(18-22-10)9-23-11(2)16(19)17-14-8-13(20-3)5-6-15(14)21-4/h5-8,11H,9H2,1-4H3,(H,17,19)
InChIKeyGGMPNFRIQSLFFA-UHFFFAOYSA-N
XLogP3.26
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.41
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-N-(5-methyl-1,2-oxazol-3-yl)-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]propanamide
CID 95573536
N-(2,5-dimethoxyphenyl)-2-(furan-2-ylmethylsulfanyl)propanamide
CID 78761678
(2R)-N-(5-chloro-2-methylphenyl)-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]propanamide
CID 34508270
(2S)-2-[2-(2,4-dimethoxyanilino)-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 7698076
2-[[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 47023536
N-(2,5-dimethoxyphenyl)-2-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfanyl]propanamide
CID 78860894
N-(2-methoxyphenyl)-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfinyl]propanamide
CID 56827638
N-(2,4-dimethoxyphenyl)-2-(furan-2-ylmethylsulfanyl)propanamide
CID 23772372
(2R)-2-[2-[[(1S)-1-(2,5-dimethoxyphenyl)ethyl]amino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 9478004
[(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl] 2-[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]sulfanylacetate
CID 7952600
N-(2-butoxy-5-methoxyphenyl)-2-methylsulfanylpropanamide
CID 47328777
(2S)-2-[2-(4-methoxyphenyl)ethylsulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 27284466

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]propanamide?
The IUPAC name of N-(2,5-dimethoxyphenyl)-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]propanamide (CID 86931322) is N-(2,5-dimethoxyphenyl)-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]propanamide.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]propanamide?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]propanamide is COc1ccc(OC)c(NC(=O)C(C)SCc2cc(C)on2)c1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]propanamide?
The InChIKey is GGMPNFRIQSLFFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O4S/c1-10-7-12(18-22-10)9-23-11(2)16(19)17-14-8-13(20-3)5-6-15(14)21-4/h5-8,11H,9H2,1-4H3,(H,17,19).
What are the key properties of N-(2,5-dimethoxyphenyl)-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]propanamide?
N-(2,5-dimethoxyphenyl)-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]propanamide has a molecular weight of 336.41 g/mol, XLogP of 3.26, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]propanamide is sourced from PubChem (CID 86931322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).