N-(3,4-dimethoxyphenyl)-2-(2,4-dimethylphenyl)sulfanylacetamide

C18H21NO3S — CID 2708642

IUPACN-(3,4-dimethoxyphenyl)-2-(2,4-dimethylphenyl)sulfanylacetamide
SMILESCOc1ccc(NC(=O)CSc2ccc(C)cc2C)cc1OC
InChIInChI=1S/C18H21NO3S/c1-12-5-8-17(13(2)9-12)23-11-18(20)19-14-6-7-15(21-3)16(10-14)22-4/h5-10H,11H2,1-4H3,(H,19,20)
InChIKeyIPLRGVNOJGNGPF-UHFFFAOYSA-N
MW331.44 g/mol
LogP4.05
Rot. Bonds6

About N-(3,4-dimethoxyphenyl)-2-(2,4-dimethylphenyl)sulfanylacetamide

N-(3,4-dimethoxyphenyl)-2-(2,4-dimethylphenyl)sulfanylacetamide (PubChem CID 2708642) has the molecular formula C18H21NO3S and a molecular weight of 331.44 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-2-(2,4-dimethylphenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-2-(2,4-dimethylphenyl)sulfanylacetamide
PubChem CID2708642
Molecular FormulaC18H21NO3S
Molecular Weight331.44 g/mol
Exact Mass331.12
IUPAC NameN-(3,4-dimethoxyphenyl)-2-(2,4-dimethylphenyl)sulfanylacetamide
SMILESCOc1ccc(NC(=O)CSc2ccc(C)cc2C)cc1OC
InChIInChI=1S/C18H21NO3S/c1-12-5-8-17(13(2)9-12)23-11-18(20)19-14-6-7-15(21-3)16(10-14)22-4/h5-10H,11H2,1-4H3,(H,19,20)
InChIKeyIPLRGVNOJGNGPF-UHFFFAOYSA-N
XLogP4.05
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(3,4-dimethoxyphenyl)-2-(2,4-dimethylphenyl)sulfanylacetamide 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-[2-(3,4-dimethoxyanilino)-2-oxoethyl]sulfanyl-N-(4-methylphenyl)acetamide
CID 9458010
N-(3,4-dimethoxyphenyl)-2-(2,4-dimethylanilino)acetamide
CID 9081068
2-(2,4-dimethylphenyl)sulfanyl-N-(3-iodo-4-methylphenyl)acetamide
CID 7925492
N-(3,4-dimethoxyphenyl)-2-(2,4-dimethylphenyl)acetamide
CID 100756178
N-(3-amino-4-chlorophenyl)-2-(2,4-dimethylphenyl)sulfanylacetamide
CID 29298839
N-(3,4-dimethoxyphenyl)-2-(N,2,4-trimethylanilino)acetamide
CID 78903073
2-(4-bromo-2-methylphenyl)sulfanyl-N-(3,4,5-trimethoxyphenyl)acetamide
CID 27873785
N-(3-bromo-4-methoxyphenyl)-2-(2-methylphenyl)sulfanylacetamide
CID 4163555
2-(1-bromonaphthalen-2-yl)sulfanyl-N-(3,4-dimethoxyphenyl)acetamide
CID 5172629
4-[[2-(2,4-dimethylphenyl)sulfanylacetyl]amino]-N,N-dimethylbenzamide
CID 2616464
N,N'-bis(3,4-dimethoxyphenyl)propanediamide
CID 21232287
[2-(3,4-dimethoxyanilino)-2-oxoethyl] 2,4-dimethylbenzoate
CID 2544243

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-2-(2,4-dimethylphenyl)sulfanylacetamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-2-(2,4-dimethylphenyl)sulfanylacetamide (CID 2708642) is N-(3,4-dimethoxyphenyl)-2-(2,4-dimethylphenyl)sulfanylacetamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-2-(2,4-dimethylphenyl)sulfanylacetamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-2-(2,4-dimethylphenyl)sulfanylacetamide is COc1ccc(NC(=O)CSc2ccc(C)cc2C)cc1OC.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-2-(2,4-dimethylphenyl)sulfanylacetamide?
The InChIKey is IPLRGVNOJGNGPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO3S/c1-12-5-8-17(13(2)9-12)23-11-18(20)19-14-6-7-15(21-3)16(10-14)22-4/h5-10H,11H2,1-4H3,(H,19,20).
What are the key properties of N-(3,4-dimethoxyphenyl)-2-(2,4-dimethylphenyl)sulfanylacetamide?
N-(3,4-dimethoxyphenyl)-2-(2,4-dimethylphenyl)sulfanylacetamide has a molecular weight of 331.44 g/mol, XLogP of 4.05, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-2-(2,4-dimethylphenyl)sulfanylacetamide is sourced from PubChem (CID 2708642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).