3-(3,4-dimethoxyphenyl)-N-(2-ethylsulfanylphenyl)propanamide

C19H23NO3S — CID 92677216

IUPAC3-(3,4-dimethoxyphenyl)-N-(2-ethylsulfanylphenyl)propanamide
SMILESCCSc1ccccc1NC(=O)CCc1ccc(OC)c(OC)c1
InChIInChI=1S/C19H23NO3S/c1-4-24-18-8-6-5-7-15(18)20-19(21)12-10-14-9-11-16(22-2)17(13-14)23-3/h5-9,11,13H,4,10,12H2,1-3H3,(H,20,21)
InChIKeyYURHCNWZASQNKD-UHFFFAOYSA-N
MW345.46 g/mol
LogP4.39
Rot. Bonds8

About 3-(3,4-dimethoxyphenyl)-N-(2-ethylsulfanylphenyl)propanamide

3-(3,4-dimethoxyphenyl)-N-(2-ethylsulfanylphenyl)propanamide (PubChem CID 92677216) has the molecular formula C19H23NO3S and a molecular weight of 345.46 g/mol. Its IUPAC name is 3-(3,4-dimethoxyphenyl)-N-(2-ethylsulfanylphenyl)propanamide.

Molecular Properties

Compound Name3-(3,4-dimethoxyphenyl)-N-(2-ethylsulfanylphenyl)propanamide
PubChem CID92677216
Molecular FormulaC19H23NO3S
Molecular Weight345.46 g/mol
Exact Mass345.14
IUPAC Name3-(3,4-dimethoxyphenyl)-N-(2-ethylsulfanylphenyl)propanamide
SMILESCCSc1ccccc1NC(=O)CCc1ccc(OC)c(OC)c1
InChIInChI=1S/C19H23NO3S/c1-4-24-18-8-6-5-7-15(18)20-19(21)12-10-14-9-11-16(22-2)17(13-14)23-3/h5-9,11,13H,4,10,12H2,1-3H3,(H,20,21)
InChIKeyYURHCNWZASQNKD-UHFFFAOYSA-N
XLogP4.39
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.46
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(difluoromethylsulfanyl)phenyl]-3-(3,4-dimethoxyphenyl)propanamide
CID 25499840
3-(3,4-dimethoxyphenyl)-N-(2-hydroxyphenyl)propanamide
CID 12822107
3-(3,4-dimethoxyphenyl)-N-(2-propan-2-yloxyphenyl)propanamide
CID 38999781
3-(3,4-dimethoxyphenyl)-N-(2-phenylphenyl)propanamide
CID 26727200
N-[(2S)-butan-2-yl]-2-[3-(3,4-dimethoxyphenyl)propanoylamino]benzamide
CID 28579202
N-[2-(2-chlorophenoxy)phenyl]-3-(3,4-dimethoxyphenyl)propanamide
CID 24514263
3-(3,4-dimethoxyphenyl)-N-(2-methoxy-5-methylphenyl)propanamide
CID 2684730
3-(3,4-dimethoxyphenyl)-N-[2,4-di(propan-2-yl)phenyl]propanamide
CID 34445344
tert-butyl N-[3-[2-[3-(3,4-dimethoxyphenyl)propanoylamino]anilino]-3-oxopropyl]carbamate
CID 108920282
3-(3,4-dimethoxyphenyl)-N-(4-phenylphenyl)propanamide
CID 8880797
3-(3,4-dimethoxyphenyl)-N-(2,6-dimethylphenyl)propanamide
CID 19220644
(2R)-2-[3-(3,4-dimethoxyphenyl)propanoylamino]-2-phenylacetic acid
CID 119367699

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethoxyphenyl)-N-(2-ethylsulfanylphenyl)propanamide?
The IUPAC name of 3-(3,4-dimethoxyphenyl)-N-(2-ethylsulfanylphenyl)propanamide (CID 92677216) is 3-(3,4-dimethoxyphenyl)-N-(2-ethylsulfanylphenyl)propanamide.
What is the SMILES notation for 3-(3,4-dimethoxyphenyl)-N-(2-ethylsulfanylphenyl)propanamide?
The canonical SMILES for 3-(3,4-dimethoxyphenyl)-N-(2-ethylsulfanylphenyl)propanamide is CCSc1ccccc1NC(=O)CCc1ccc(OC)c(OC)c1.
What is the InChIKey of 3-(3,4-dimethoxyphenyl)-N-(2-ethylsulfanylphenyl)propanamide?
The InChIKey is YURHCNWZASQNKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO3S/c1-4-24-18-8-6-5-7-15(18)20-19(21)12-10-14-9-11-16(22-2)17(13-14)23-3/h5-9,11,13H,4,10,12H2,1-3H3,(H,20,21).
What are the key properties of 3-(3,4-dimethoxyphenyl)-N-(2-ethylsulfanylphenyl)propanamide?
3-(3,4-dimethoxyphenyl)-N-(2-ethylsulfanylphenyl)propanamide has a molecular weight of 345.46 g/mol, XLogP of 4.39, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethoxyphenyl)-N-(2-ethylsulfanylphenyl)propanamide is sourced from PubChem (CID 92677216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).