2-(3,4-dimethoxyphenyl)sulfanyl-N-(3,5-dimethylphenyl)acetamide

C18H21NO3S — CID 28635923

IUPAC2-(3,4-dimethoxyphenyl)sulfanyl-N-(3,5-dimethylphenyl)acetamide
SMILESCOc1ccc(SCC(=O)Nc2cc(C)cc(C)c2)cc1OC
InChIInChI=1S/C18H21NO3S/c1-12-7-13(2)9-14(8-12)19-18(20)11-23-15-5-6-16(21-3)17(10-15)22-4/h5-10H,11H2,1-4H3,(H,19,20)
InChIKeyIUYIYPWLKNDXTP-UHFFFAOYSA-N
MW331.44 g/mol
LogP4.05
Rot. Bonds6

About 2-(3,4-dimethoxyphenyl)sulfanyl-N-(3,5-dimethylphenyl)acetamide

2-(3,4-dimethoxyphenyl)sulfanyl-N-(3,5-dimethylphenyl)acetamide (PubChem CID 28635923) has the molecular formula C18H21NO3S and a molecular weight of 331.44 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)sulfanyl-N-(3,5-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)sulfanyl-N-(3,5-dimethylphenyl)acetamide
PubChem CID28635923
Molecular FormulaC18H21NO3S
Molecular Weight331.44 g/mol
Exact Mass331.12
IUPAC Name2-(3,4-dimethoxyphenyl)sulfanyl-N-(3,5-dimethylphenyl)acetamide
SMILESCOc1ccc(SCC(=O)Nc2cc(C)cc(C)c2)cc1OC
InChIInChI=1S/C18H21NO3S/c1-12-7-13(2)9-14(8-12)19-18(20)11-23-15-5-6-16(21-3)17(10-15)22-4/h5-10H,11H2,1-4H3,(H,19,20)
InChIKeyIUYIYPWLKNDXTP-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

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Related Compounds

N-(3-acetamidophenyl)-2-(3,4-dimethoxyphenyl)sulfanylacetamide
CID 46769269
2-(4-chlorophenyl)sulfanyl-N-(3,5-dimethylphenyl)acetamide
CID 3936827
2-(3,4-dimethoxyphenyl)sulfanyl-N-[4-[(3-methylphenyl)sulfamoyl]phenyl]acetamide
CID 30390096
N-(3,4-dimethoxyphenyl)-2-naphthalen-2-ylsulfanylacetamide
CID 2500878
ethyl 2-chloro-5-[[2-(3,4-dimethoxyphenyl)sulfanylacetyl]amino]benzoate
CID 38012801
N-(2,6-dichlorophenyl)-2-(3,4-dimethoxyphenyl)sulfanylacetamide
CID 38016758
N-(3,4-dimethoxyphenyl)-2-(2,4-dimethylphenyl)sulfanylacetamide
CID 2708642
2-(4-bromophenyl)sulfanyl-N-(4-ethoxy-3-methoxyphenyl)acetamide
CID 9102401
2-[2-(3,4-dimethoxyanilino)-2-oxoethyl]sulfanyl-N-(4-methylphenyl)acetamide
CID 9458010
2-(3,4-dimethylphenyl)sulfanyl-N-(2-methoxy-5-methylphenyl)acetamide
CID 2708523
N-[(E)-1-(3,4-dimethoxyphenyl)-3-[3-[2-(3,5-dimethylanilino)-2-oxoethyl]sulfanylanilino]-3-oxoprop-1-en-2-yl]benzamide
CID 19308281
[2-(3,5-dimethylanilino)-2-oxoethyl] 2-(4-methoxyphenyl)sulfanylacetate
CID 8548310

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)sulfanyl-N-(3,5-dimethylphenyl)acetamide?
The IUPAC name of 2-(3,4-dimethoxyphenyl)sulfanyl-N-(3,5-dimethylphenyl)acetamide (CID 28635923) is 2-(3,4-dimethoxyphenyl)sulfanyl-N-(3,5-dimethylphenyl)acetamide.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)sulfanyl-N-(3,5-dimethylphenyl)acetamide?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)sulfanyl-N-(3,5-dimethylphenyl)acetamide is COc1ccc(SCC(=O)Nc2cc(C)cc(C)c2)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)sulfanyl-N-(3,5-dimethylphenyl)acetamide?
The InChIKey is IUYIYPWLKNDXTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO3S/c1-12-7-13(2)9-14(8-12)19-18(20)11-23-15-5-6-16(21-3)17(10-15)22-4/h5-10H,11H2,1-4H3,(H,19,20).
What are the key properties of 2-(3,4-dimethoxyphenyl)sulfanyl-N-(3,5-dimethylphenyl)acetamide?
2-(3,4-dimethoxyphenyl)sulfanyl-N-(3,5-dimethylphenyl)acetamide 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 2-(3,4-dimethoxyphenyl)sulfanyl-N-(3,5-dimethylphenyl)acetamide is sourced from PubChem (CID 28635923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).