2-[(4-methylphenyl)methylsulfanyl]-N-[(2,3,4-trimethoxyphenyl)methyl]acetamide

C20H25NO4S — CID 94043023

IUPAC2-[(4-methylphenyl)methylsulfanyl]-N-[(2,3,4-trimethoxyphenyl)methyl]acetamide
SMILESCOc1ccc(CNC(=O)CSCc2ccc(C)cc2)c(OC)c1OC
InChIInChI=1S/C20H25NO4S/c1-14-5-7-15(8-6-14)12-26-13-18(22)21-11-16-9-10-17(23-2)20(25-4)19(16)24-3/h5-10H,11-13H2,1-4H3,(H,21,22)
InChIKeyFEYQZZREWAEUQO-UHFFFAOYSA-N
MW375.49 g/mol
LogP3.57
Rot. Bonds9

About 2-[(4-methylphenyl)methylsulfanyl]-N-[(2,3,4-trimethoxyphenyl)methyl]acetamide

2-[(4-methylphenyl)methylsulfanyl]-N-[(2,3,4-trimethoxyphenyl)methyl]acetamide (PubChem CID 94043023) has the molecular formula C20H25NO4S and a molecular weight of 375.49 g/mol. Its IUPAC name is 2-[(4-methylphenyl)methylsulfanyl]-N-[(2,3,4-trimethoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[(4-methylphenyl)methylsulfanyl]-N-[(2,3,4-trimethoxyphenyl)methyl]acetamide
PubChem CID94043023
Molecular FormulaC20H25NO4S
Molecular Weight375.49 g/mol
Exact Mass375.15
IUPAC Name2-[(4-methylphenyl)methylsulfanyl]-N-[(2,3,4-trimethoxyphenyl)methyl]acetamide
SMILESCOc1ccc(CNC(=O)CSCc2ccc(C)cc2)c(OC)c1OC
InChIInChI=1S/C20H25NO4S/c1-14-5-7-15(8-6-14)12-26-13-18(22)21-11-16-9-10-17(23-2)20(25-4)19(16)24-3/h5-10H,11-13H2,1-4H3,(H,21,22)
InChIKeyFEYQZZREWAEUQO-UHFFFAOYSA-N
XLogP3.57
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.49
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[(4-methylphenyl)methylsulfanyl]-N-[(2,3,4-trimethoxyphenyl)methyl]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-benzylsulfanyl-N-[(2,3,4-trimethoxyphenyl)methyl]acetamide
CID 94049662
N-[(2-methoxyphenyl)methyl]-2-[(4-methylphenyl)methylsulfanyl]acetamide
CID 775085
N-[[2-(hydroxymethyl)phenyl]methyl]-2-[(4-methylphenyl)methylsulfanyl]acetamide
CID 110902360
2-[(2-methoxy-5-methylphenyl)methylsulfanyl]-N-[(4-methoxyphenyl)methyl]acetamide
CID 8928793
N-[(2,5-dimethylfuran-3-yl)methyl]-2-[(4-methylphenyl)methylsulfanyl]acetamide
CID 86950453
2-[[4-(hydroxymethyl)phenyl]methylsulfanyl]-N-[(4-methylphenyl)methyl]acetamide
CID 110006919
N-[(2,3,4-trimethoxyphenyl)methyl]acetamide
CID 18425632
2-[(4-fluorophenyl)methylsulfanyl]-N-[(4-methylphenyl)methyl]acetamide
CID 3324372
2-[(4-bromophenyl)methylsulfanyl]-N-[(3,4-dimethoxyphenyl)methyl]acetamide
CID 28633274
2-[(4-methoxyphenyl)methylsulfanyl]-N-[(2-methylphenyl)methyl]acetamide
CID 53279657
2-[(2,3,4-trimethoxyphenyl)methylsulfanyl]acetic acid
CID 24754535
3-phenyl-N-[(2,3,4-trimethoxyphenyl)methyl]propanamide
CID 46587581

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methylphenyl)methylsulfanyl]-N-[(2,3,4-trimethoxyphenyl)methyl]acetamide?
The IUPAC name of 2-[(4-methylphenyl)methylsulfanyl]-N-[(2,3,4-trimethoxyphenyl)methyl]acetamide (CID 94043023) is 2-[(4-methylphenyl)methylsulfanyl]-N-[(2,3,4-trimethoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-[(4-methylphenyl)methylsulfanyl]-N-[(2,3,4-trimethoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-[(4-methylphenyl)methylsulfanyl]-N-[(2,3,4-trimethoxyphenyl)methyl]acetamide is COc1ccc(CNC(=O)CSCc2ccc(C)cc2)c(OC)c1OC.
What is the InChIKey of 2-[(4-methylphenyl)methylsulfanyl]-N-[(2,3,4-trimethoxyphenyl)methyl]acetamide?
The InChIKey is FEYQZZREWAEUQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO4S/c1-14-5-7-15(8-6-14)12-26-13-18(22)21-11-16-9-10-17(23-2)20(25-4)19(16)24-3/h5-10H,11-13H2,1-4H3,(H,21,22).
What are the key properties of 2-[(4-methylphenyl)methylsulfanyl]-N-[(2,3,4-trimethoxyphenyl)methyl]acetamide?
2-[(4-methylphenyl)methylsulfanyl]-N-[(2,3,4-trimethoxyphenyl)methyl]acetamide has a molecular weight of 375.49 g/mol, XLogP of 3.57, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methylphenyl)methylsulfanyl]-N-[(2,3,4-trimethoxyphenyl)methyl]acetamide is sourced from PubChem (CID 94043023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).