N-(3,5-dimethoxyphenyl)-2-(2,5-dimethylphenyl)sulfanylacetamide

C18H21NO3S — CID 2708614

IUPACN-(3,5-dimethoxyphenyl)-2-(2,5-dimethylphenyl)sulfanylacetamide
SMILESCOc1cc(NC(=O)CSc2cc(C)ccc2C)cc(OC)c1
InChIInChI=1S/C18H21NO3S/c1-12-5-6-13(2)17(7-12)23-11-18(20)19-14-8-15(21-3)10-16(9-14)22-4/h5-10H,11H2,1-4H3,(H,19,20)
InChIKeyWWMPPZMYGYKWDB-UHFFFAOYSA-N
MW331.44 g/mol
LogP4.05
Rot. Bonds6

About N-(3,5-dimethoxyphenyl)-2-(2,5-dimethylphenyl)sulfanylacetamide

N-(3,5-dimethoxyphenyl)-2-(2,5-dimethylphenyl)sulfanylacetamide (PubChem CID 2708614) has the molecular formula C18H21NO3S and a molecular weight of 331.44 g/mol. Its IUPAC name is N-(3,5-dimethoxyphenyl)-2-(2,5-dimethylphenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-(3,5-dimethoxyphenyl)-2-(2,5-dimethylphenyl)sulfanylacetamide
PubChem CID2708614
Molecular FormulaC18H21NO3S
Molecular Weight331.44 g/mol
Exact Mass331.12
IUPAC NameN-(3,5-dimethoxyphenyl)-2-(2,5-dimethylphenyl)sulfanylacetamide
SMILESCOc1cc(NC(=O)CSc2cc(C)ccc2C)cc(OC)c1
InChIInChI=1S/C18H21NO3S/c1-12-5-6-13(2)17(7-12)23-11-18(20)19-14-8-15(21-3)10-16(9-14)22-4/h5-10H,11H2,1-4H3,(H,19,20)
InChIKeyWWMPPZMYGYKWDB-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-(2,4-dimethylphenyl)-2-(2,5-dimethylphenyl)sulfanylacetamide
CID 24679630
N-[3-(carbamoylamino)phenyl]-2-(2,5-dimethylphenyl)sulfanylacetamide
CID 36823108
1-(2,5-dimethylphenyl)sulfanyl-3-[(4-methoxyphenyl)hydrazinylidene]propan-2-one
CID 67634566
4-[[2-(2,5-dimethylphenyl)sulfanylacetyl]amino]-N,N-dimethylbenzamide
CID 2674343
N-(2-chlorophenyl)-2-(2,5-dimethylphenyl)sulfanylacetamide
CID 2616242
N-(3,5-dimethoxyphenyl)-2-(3-ethyl-7-methylquinolin-2-yl)sulfanylacetamide
CID 1440450
methyl 2-[[2-(2,5-dimethylphenyl)sulfanylacetyl]amino]-3-hydroxypropanoate
CID 43405647
N-(2,6-difluorophenyl)-2-(2,5-dimethylphenyl)sulfanylacetamide
CID 2616259
2-(5-amino-2-methylphenyl)sulfanyl-N-(4-methylphenyl)acetamide
CID 79141243
[2-(3,5-dimethoxyanilino)-2-oxoethyl] 2,5-dimethylbenzoate
CID 2520086
2-(2,5-dimethylphenyl)sulfanyl-N-(2-methyl-1,3-dioxoisoindol-5-yl)acetamide
CID 32796362
2-(2,5-dimethylphenyl)sulfanyl-N-(2-fluorophenyl)acetamide
CID 2616290

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethoxyphenyl)-2-(2,5-dimethylphenyl)sulfanylacetamide?
The IUPAC name of N-(3,5-dimethoxyphenyl)-2-(2,5-dimethylphenyl)sulfanylacetamide (CID 2708614) is N-(3,5-dimethoxyphenyl)-2-(2,5-dimethylphenyl)sulfanylacetamide.
What is the SMILES notation for N-(3,5-dimethoxyphenyl)-2-(2,5-dimethylphenyl)sulfanylacetamide?
The canonical SMILES for N-(3,5-dimethoxyphenyl)-2-(2,5-dimethylphenyl)sulfanylacetamide is COc1cc(NC(=O)CSc2cc(C)ccc2C)cc(OC)c1.
What is the InChIKey of N-(3,5-dimethoxyphenyl)-2-(2,5-dimethylphenyl)sulfanylacetamide?
The InChIKey is WWMPPZMYGYKWDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO3S/c1-12-5-6-13(2)17(7-12)23-11-18(20)19-14-8-15(21-3)10-16(9-14)22-4/h5-10H,11H2,1-4H3,(H,19,20).
What are the key properties of N-(3,5-dimethoxyphenyl)-2-(2,5-dimethylphenyl)sulfanylacetamide?
N-(3,5-dimethoxyphenyl)-2-(2,5-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-(3,5-dimethoxyphenyl)-2-(2,5-dimethylphenyl)sulfanylacetamide is sourced from PubChem (CID 2708614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).