N-(4-methoxyphenyl)-2-[2-(4-methylsulfanylanilino)-2-oxoethyl]sulfanylacetamide

C18H20N2O3S2 — CID 27365283

IUPACN-(4-methoxyphenyl)-2-[2-(4-methylsulfanylanilino)-2-oxoethyl]sulfanylacetamide
SMILESCOc1ccc(NC(=O)CSCC(=O)Nc2ccc(SC)cc2)cc1
InChIInChI=1S/C18H20N2O3S2/c1-23-15-7-3-13(4-8-15)19-17(21)11-25-12-18(22)20-14-5-9-16(24-2)10-6-14/h3-10H,11-12H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyFNIYSPXUUUOXMP-UHFFFAOYSA-N
MW376.50 g/mol
LogP3.73
Rot. Bonds8

About N-(4-methoxyphenyl)-2-[2-(4-methylsulfanylanilino)-2-oxoethyl]sulfanylacetamide

N-(4-methoxyphenyl)-2-[2-(4-methylsulfanylanilino)-2-oxoethyl]sulfanylacetamide (PubChem CID 27365283) has the molecular formula C18H20N2O3S2 and a molecular weight of 376.50 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-2-[2-(4-methylsulfanylanilino)-2-oxoethyl]sulfanylacetamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-2-[2-(4-methylsulfanylanilino)-2-oxoethyl]sulfanylacetamide
PubChem CID27365283
Molecular FormulaC18H20N2O3S2
Molecular Weight376.50 g/mol
Exact Mass376.09
IUPAC NameN-(4-methoxyphenyl)-2-[2-(4-methylsulfanylanilino)-2-oxoethyl]sulfanylacetamide
SMILESCOc1ccc(NC(=O)CSCC(=O)Nc2ccc(SC)cc2)cc1
InChIInChI=1S/C18H20N2O3S2/c1-23-15-7-3-13(4-8-15)19-17(21)11-25-12-18(22)20-14-5-9-16(24-2)10-6-14/h3-10H,11-12H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyFNIYSPXUUUOXMP-UHFFFAOYSA-N
XLogP3.73
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(4-methoxyanilino)-2-oxoethyl]sulfanylacetic acid
CID 787659
2-[2-(4-methoxyanilino)-2-oxoethyl]sulfanyl-N-(4-propan-2-ylphenyl)acetamide
CID 7746783
2-[2-(2,4-difluoroanilino)-2-oxoethyl]sulfanyl-N-(4-methoxyphenyl)acetamide
CID 9164992
[2-(4-methoxyanilino)-2-oxoethyl]-methyl-[(4-methylsulfanylphenyl)methyl]azanium
CID 2534470
2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(4-methylsulfanylphenyl)acetamide
CID 18126812
2-(4-aminophenyl)sulfanyl-N-(4-methoxyphenyl)acetamide
CID 3846730
N-(4-methoxyphenyl)-2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylacetamide
CID 40589293
2-[2-[2-[(4-fluorophenyl)carbamothioyl]hydrazinyl]-2-oxoethyl]sulfanyl-N-(4-methoxyphenyl)acetamide
CID 25104686
(2R)-N-ethyl-2-[[2-[2-(4-methoxyanilino)-2-oxoethyl]sulfanylacetyl]amino]propanamide
CID 8752422
2-[2-(2-fluoroanilino)-2-oxoethyl]sulfanyl-N-(4-methylsulfanylphenyl)acetamide
CID 17482942
2-(4-aminobutylsulfanyl)-N-(4-methoxyphenyl)acetamide
CID 82180185
4-[[2-(4-methoxyphenyl)sulfanylacetyl]amino]benzoic acid
CID 47094711

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-2-[2-(4-methylsulfanylanilino)-2-oxoethyl]sulfanylacetamide?
The IUPAC name of N-(4-methoxyphenyl)-2-[2-(4-methylsulfanylanilino)-2-oxoethyl]sulfanylacetamide (CID 27365283) is N-(4-methoxyphenyl)-2-[2-(4-methylsulfanylanilino)-2-oxoethyl]sulfanylacetamide.
What is the SMILES notation for N-(4-methoxyphenyl)-2-[2-(4-methylsulfanylanilino)-2-oxoethyl]sulfanylacetamide?
The canonical SMILES for N-(4-methoxyphenyl)-2-[2-(4-methylsulfanylanilino)-2-oxoethyl]sulfanylacetamide is COc1ccc(NC(=O)CSCC(=O)Nc2ccc(SC)cc2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-2-[2-(4-methylsulfanylanilino)-2-oxoethyl]sulfanylacetamide?
The InChIKey is FNIYSPXUUUOXMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3S2/c1-23-15-7-3-13(4-8-15)19-17(21)11-25-12-18(22)20-14-5-9-16(24-2)10-6-14/h3-10H,11-12H2,1-2H3,(H,19,21)(H,20,22).
What are the key properties of N-(4-methoxyphenyl)-2-[2-(4-methylsulfanylanilino)-2-oxoethyl]sulfanylacetamide?
N-(4-methoxyphenyl)-2-[2-(4-methylsulfanylanilino)-2-oxoethyl]sulfanylacetamide has a molecular weight of 376.50 g/mol, XLogP of 3.73, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-2-[2-(4-methylsulfanylanilino)-2-oxoethyl]sulfanylacetamide is sourced from PubChem (CID 27365283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).