N-[(3-methoxyphenyl)methyl]-N-methyl-2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]acetamide

C20H26N2O2S — CID 78787985

IUPACN-[(3-methoxyphenyl)methyl]-N-methyl-2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]acetamide
SMILESCOc1cccc(CN(C)C(=O)CN(C)Cc2ccc(SC)cc2)c1
InChIInChI=1S/C20H26N2O2S/c1-21(13-16-8-10-19(25-4)11-9-16)15-20(23)22(2)14-17-6-5-7-18(12-17)24-3/h5-12H,13-15H2,1-4H3
InChIKeyMXDVNSKIIJHLCP-UHFFFAOYSA-N
MW358.51 g/mol
LogP3.51
Rot. Bonds8

About N-[(3-methoxyphenyl)methyl]-N-methyl-2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]acetamide

N-[(3-methoxyphenyl)methyl]-N-methyl-2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]acetamide (PubChem CID 78787985) has the molecular formula C20H26N2O2S and a molecular weight of 358.51 g/mol. Its IUPAC name is N-[(3-methoxyphenyl)methyl]-N-methyl-2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]acetamide.

Molecular Properties

Compound NameN-[(3-methoxyphenyl)methyl]-N-methyl-2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]acetamide
PubChem CID78787985
Molecular FormulaC20H26N2O2S
Molecular Weight358.51 g/mol
Exact Mass358.17
IUPAC NameN-[(3-methoxyphenyl)methyl]-N-methyl-2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]acetamide
SMILESCOc1cccc(CN(C)C(=O)CN(C)Cc2ccc(SC)cc2)c1
InChIInChI=1S/C20H26N2O2S/c1-21(13-16-8-10-19(25-4)11-9-16)15-20(23)22(2)14-17-6-5-7-18(12-17)24-3/h5-12H,13-15H2,1-4H3
InChIKeyMXDVNSKIIJHLCP-UHFFFAOYSA-N
XLogP3.51
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.51
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-[(3-methoxyphenyl)methyl]-N-methyl-2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]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

N-[(3-methoxyphenyl)methyl]-N-methyl-2-[methyl(2-phenoxyethyl)amino]acetamide
CID 78787642
N-(3-aminopropyl)-2-[(3-methoxyphenyl)methyl-methylamino]-N-methylacetamide
CID 61420595
2-[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]-N-methyl-N-[(4-methylsulfanylphenyl)methyl]acetamide
CID 8680482
2-(N-ethyl-4-fluoroanilino)-N-[(3-methoxyphenyl)methyl]-N-methylacetamide
CID 78826757
N-(2,6-dimethylphenyl)-2-[[2-[(3-methoxyphenyl)methyl-methylamino]acetyl]-methylamino]acetamide
CID 8788835
N-(2,6-dimethylphenyl)-2-[[2-[(3-methoxyphenyl)methyl-methylamino]-2-oxoethyl]-methylamino]acetamide
CID 9221864
1-(4-methoxyphenyl)-N-[(3-methoxyphenyl)methyl]-N-methylmethanamine
CID 22070460
2-[(3,4-dimethoxyphenyl)methyl-methylamino]-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylacetamide
CID 8844967
2-(4-methoxyphenoxy)-N-[(3-methoxyphenyl)methyl]-N-methylacetamide
CID 78762272
ethyl N-[(3-methoxyphenyl)methyl]-N-methylcarbamate
CID 60636271
2-[butyl(ethyl)amino]-N-[(3-methoxyphenyl)methyl]-N-methylacetamide
CID 86910816
N-[(4-fluorophenyl)methyl]-N-methyl-2-[methyl(naphthalen-2-ylmethyl)amino]acetamide
CID 27073013

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyphenyl)methyl]-N-methyl-2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]acetamide?
The IUPAC name of N-[(3-methoxyphenyl)methyl]-N-methyl-2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]acetamide (CID 78787985) is N-[(3-methoxyphenyl)methyl]-N-methyl-2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]acetamide.
What is the SMILES notation for N-[(3-methoxyphenyl)methyl]-N-methyl-2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]acetamide?
The canonical SMILES for N-[(3-methoxyphenyl)methyl]-N-methyl-2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]acetamide is COc1cccc(CN(C)C(=O)CN(C)Cc2ccc(SC)cc2)c1.
What is the InChIKey of N-[(3-methoxyphenyl)methyl]-N-methyl-2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]acetamide?
The InChIKey is MXDVNSKIIJHLCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2S/c1-21(13-16-8-10-19(25-4)11-9-16)15-20(23)22(2)14-17-6-5-7-18(12-17)24-3/h5-12H,13-15H2,1-4H3.
What are the key properties of N-[(3-methoxyphenyl)methyl]-N-methyl-2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]acetamide?
N-[(3-methoxyphenyl)methyl]-N-methyl-2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]acetamide has a molecular weight of 358.51 g/mol, XLogP of 3.51, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxyphenyl)methyl]-N-methyl-2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]acetamide is sourced from PubChem (CID 78787985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).