2-(3,4-dimethoxyphenyl)sulfanyl-N-(3-propan-2-yloxypropyl)acetamide

C16H25NO4S — CID 38009327

IUPAC2-(3,4-dimethoxyphenyl)sulfanyl-N-(3-propan-2-yloxypropyl)acetamide
SMILESCOc1ccc(SCC(=O)NCCCOC(C)C)cc1OC
InChIInChI=1S/C16H25NO4S/c1-12(2)21-9-5-8-17-16(18)11-22-13-6-7-14(19-3)15(10-13)20-4/h6-7,10,12H,5,8-9,11H2,1-4H3,(H,17,18)
InChIKeyPQHGAMQYBUWTJK-UHFFFAOYSA-N
MW327.45 g/mol
LogP2.73
Rot. Bonds10

About 2-(3,4-dimethoxyphenyl)sulfanyl-N-(3-propan-2-yloxypropyl)acetamide

2-(3,4-dimethoxyphenyl)sulfanyl-N-(3-propan-2-yloxypropyl)acetamide (PubChem CID 38009327) has the molecular formula C16H25NO4S and a molecular weight of 327.45 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)sulfanyl-N-(3-propan-2-yloxypropyl)acetamide.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)sulfanyl-N-(3-propan-2-yloxypropyl)acetamide
PubChem CID38009327
Molecular FormulaC16H25NO4S
Molecular Weight327.45 g/mol
Exact Mass327.15
IUPAC Name2-(3,4-dimethoxyphenyl)sulfanyl-N-(3-propan-2-yloxypropyl)acetamide
SMILESCOc1ccc(SCC(=O)NCCCOC(C)C)cc1OC
InChIInChI=1S/C16H25NO4S/c1-12(2)21-9-5-8-17-16(18)11-22-13-6-7-14(19-3)15(10-13)20-4/h6-7,10,12H,5,8-9,11H2,1-4H3,(H,17,18)
InChIKeyPQHGAMQYBUWTJK-UHFFFAOYSA-N
XLogP2.73
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.45
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-(3,4-dimethoxyphenyl)sulfanyl-N-(3-propan-2-yloxypropyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3,4-dimethoxyphenyl)sulfanyl-N-[3-(4-fluorophenyl)propyl]acetamide
CID 30386499
2-(3,4-dimethoxyphenyl)sulfanyl-N-[3-(3-methoxyphenyl)propyl]acetamide
CID 46769228
4-[2-oxo-2-(3-propan-2-yloxypropylamino)ethyl]sulfanylthiophene-2-carboxylic acid
CID 79149428
2-(4-amino-2-fluorophenyl)sulfanyl-N-(3-propan-2-yloxypropyl)acetamide
CID 43303642
2-[[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(3-propan-2-yloxypropyl)acetamide
CID 8888371
N-(3-propan-2-yloxypropyl)-2-(3,4,5-trimethoxyphenyl)acetamide
CID 8008074
2-(3,4-dimethoxyphenyl)sulfanyl-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]acetamide
CID 99955364
2-[4-[(2-methoxy-5-methylphenyl)methyl]piperazin-1-yl]-N-(3-propan-2-yloxypropyl)acetamide
CID 8997912
N-[3-(2,3-dihydroindol-1-yl)propyl]-2-(3,4-dimethoxyphenyl)sulfanylacetamide
CID 28635305
3-amino-4-methoxy-N-(3-propan-2-yloxypropyl)benzamide
CID 82070538
(2S)-2-(2-methoxyphenoxy)-N-(3-propan-2-yloxypropyl)butanamide
CID 9172862
2-(3,4-dimethoxyphenyl)sulfanyl-N-[1-(4-methoxyphenyl)-3-methylbutyl]acetamide
CID 46770370

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)sulfanyl-N-(3-propan-2-yloxypropyl)acetamide?
The IUPAC name of 2-(3,4-dimethoxyphenyl)sulfanyl-N-(3-propan-2-yloxypropyl)acetamide (CID 38009327) is 2-(3,4-dimethoxyphenyl)sulfanyl-N-(3-propan-2-yloxypropyl)acetamide.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)sulfanyl-N-(3-propan-2-yloxypropyl)acetamide?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)sulfanyl-N-(3-propan-2-yloxypropyl)acetamide is COc1ccc(SCC(=O)NCCCOC(C)C)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)sulfanyl-N-(3-propan-2-yloxypropyl)acetamide?
The InChIKey is PQHGAMQYBUWTJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO4S/c1-12(2)21-9-5-8-17-16(18)11-22-13-6-7-14(19-3)15(10-13)20-4/h6-7,10,12H,5,8-9,11H2,1-4H3,(H,17,18).
What are the key properties of 2-(3,4-dimethoxyphenyl)sulfanyl-N-(3-propan-2-yloxypropyl)acetamide?
2-(3,4-dimethoxyphenyl)sulfanyl-N-(3-propan-2-yloxypropyl)acetamide has a molecular weight of 327.45 g/mol, XLogP of 2.73, 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-propan-2-yloxypropyl)acetamide is sourced from PubChem (CID 38009327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).