2-(3,4-dimethoxyphenyl)sulfanyl-N-[3-(3-methoxyphenyl)propyl]acetamide

C20H25NO4S — CID 46769228

IUPAC2-(3,4-dimethoxyphenyl)sulfanyl-N-[3-(3-methoxyphenyl)propyl]acetamide
SMILESCOc1cccc(CCCNC(=O)CSc2ccc(OC)c(OC)c2)c1
InChIInChI=1S/C20H25NO4S/c1-23-16-8-4-6-15(12-16)7-5-11-21-20(22)14-26-17-9-10-18(24-2)19(13-17)25-3/h4,6,8-10,12-13H,5,7,11,14H2,1-3H3,(H,21,22)
InChIKeyFGBPFNOZEHDLEA-UHFFFAOYSA-N
MW375.49 g/mol
LogP3.55
Rot. Bonds10

About 2-(3,4-dimethoxyphenyl)sulfanyl-N-[3-(3-methoxyphenyl)propyl]acetamide

2-(3,4-dimethoxyphenyl)sulfanyl-N-[3-(3-methoxyphenyl)propyl]acetamide (PubChem CID 46769228) has the molecular formula C20H25NO4S and a molecular weight of 375.49 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)sulfanyl-N-[3-(3-methoxyphenyl)propyl]acetamide.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)sulfanyl-N-[3-(3-methoxyphenyl)propyl]acetamide
PubChem CID46769228
Molecular FormulaC20H25NO4S
Molecular Weight375.49 g/mol
Exact Mass375.15
IUPAC Name2-(3,4-dimethoxyphenyl)sulfanyl-N-[3-(3-methoxyphenyl)propyl]acetamide
SMILESCOc1cccc(CCCNC(=O)CSc2ccc(OC)c(OC)c2)c1
InChIInChI=1S/C20H25NO4S/c1-23-16-8-4-6-15(12-16)7-5-11-21-20(22)14-26-17-9-10-18(24-2)19(13-17)25-3/h4,6,8-10,12-13H,5,7,11,14H2,1-3H3,(H,21,22)
InChIKeyFGBPFNOZEHDLEA-UHFFFAOYSA-N
XLogP3.55
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.49
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(3-methoxyphenyl)propyl]-2-(4-methoxyphenyl)sulfanylacetamide
CID 30397462
2-(3,4-dimethoxyphenyl)sulfanyl-N-[3-(4-fluorophenyl)propyl]acetamide
CID 30386499
3-(3-methoxyphenyl)-N-(3-phenylpropyl)propanamide
CID 127121905
2-(4-methoxyphenoxy)-N-[3-(3-methoxyphenyl)propyl]acetamide
CID 95172596
(E)-3-(3,4-dimethoxyphenyl)-N-[3-(3-methoxyphenyl)propyl]prop-2-enamide
CID 95172589
2-(3,4-dimethoxyphenyl)sulfanyl-N-(3-propan-2-yloxypropyl)acetamide
CID 38009327
5-[[2-(3-methoxyphenyl)sulfanylacetyl]amino]pentanoic acid
CID 119234511
2-(3,4-dimethoxyphenyl)sulfanyl-N-[(3-methylphenyl)methyl]acetamide
CID 28577640
2-(3-methoxyphenyl)sulfanyl-N-[2-(methylamino)ethyl]acetamide
CID 119503641
N'-[2-(3,4-dimethoxyphenyl)ethyl]-N-[2-(3-methoxyphenyl)ethyl]oxamide
CID 108985428
N-[3-(3-methoxyphenyl)propyl]-2-(3-methylphenoxy)acetamide
CID 95172598
2-(4-chlorophenyl)sulfanyl-N-[(3-methoxyphenyl)methyl]acetamide
CID 18074647

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)sulfanyl-N-[3-(3-methoxyphenyl)propyl]acetamide?
The IUPAC name of 2-(3,4-dimethoxyphenyl)sulfanyl-N-[3-(3-methoxyphenyl)propyl]acetamide (CID 46769228) is 2-(3,4-dimethoxyphenyl)sulfanyl-N-[3-(3-methoxyphenyl)propyl]acetamide.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)sulfanyl-N-[3-(3-methoxyphenyl)propyl]acetamide?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)sulfanyl-N-[3-(3-methoxyphenyl)propyl]acetamide is COc1cccc(CCCNC(=O)CSc2ccc(OC)c(OC)c2)c1.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)sulfanyl-N-[3-(3-methoxyphenyl)propyl]acetamide?
The InChIKey is FGBPFNOZEHDLEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO4S/c1-23-16-8-4-6-15(12-16)7-5-11-21-20(22)14-26-17-9-10-18(24-2)19(13-17)25-3/h4,6,8-10,12-13H,5,7,11,14H2,1-3H3,(H,21,22).
What are the key properties of 2-(3,4-dimethoxyphenyl)sulfanyl-N-[3-(3-methoxyphenyl)propyl]acetamide?
2-(3,4-dimethoxyphenyl)sulfanyl-N-[3-(3-methoxyphenyl)propyl]acetamide has a molecular weight of 375.49 g/mol, XLogP of 3.55, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)sulfanyl-N-[3-(3-methoxyphenyl)propyl]acetamide is sourced from PubChem (CID 46769228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).