N-(2,5-dimethoxyphenyl)-2-(4-methoxyphenyl)sulfanylacetamide

C17H19NO4S — CID 8907113

IUPACN-(2,5-dimethoxyphenyl)-2-(4-methoxyphenyl)sulfanylacetamide
SMILESCOc1ccc(SCC(=O)Nc2cc(OC)ccc2OC)cc1
InChIInChI=1S/C17H19NO4S/c1-20-12-4-7-14(8-5-12)23-11-17(19)18-15-10-13(21-2)6-9-16(15)22-3/h4-10H,11H2,1-3H3,(H,18,19)
InChIKeyRRIXFCQWZCPXFV-UHFFFAOYSA-N
MW333.41 g/mol
LogP3.44
Rot. Bonds7

About N-(2,5-dimethoxyphenyl)-2-(4-methoxyphenyl)sulfanylacetamide

N-(2,5-dimethoxyphenyl)-2-(4-methoxyphenyl)sulfanylacetamide (PubChem CID 8907113) has the molecular formula C17H19NO4S and a molecular weight of 333.41 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-2-(4-methoxyphenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-2-(4-methoxyphenyl)sulfanylacetamide
PubChem CID8907113
Molecular FormulaC17H19NO4S
Molecular Weight333.41 g/mol
Exact Mass333.10
IUPAC NameN-(2,5-dimethoxyphenyl)-2-(4-methoxyphenyl)sulfanylacetamide
SMILESCOc1ccc(SCC(=O)Nc2cc(OC)ccc2OC)cc1
InChIInChI=1S/C17H19NO4S/c1-20-12-4-7-14(8-5-12)23-11-17(19)18-15-10-13(21-2)6-9-16(15)22-3/h4-10H,11H2,1-3H3,(H,18,19)
InChIKeyRRIXFCQWZCPXFV-UHFFFAOYSA-N
XLogP3.44
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,5-dimethoxyphenyl)-2-(4-fluorophenyl)sulfanylacetamide
CID 2609676
2-(4-chlorophenyl)sulfanyl-N-(2,5-dimethoxyphenyl)acetamide
CID 846639
2-[2-(2,5-dimethoxyanilino)-2-oxoethyl]sulfanyl-N-(2,5-dimethoxyphenyl)acetamide
CID 35495479
2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-(2,5-dimethoxyphenyl)acetamide
CID 7652740
2-(4-chlorophenyl)-N-[4-[2-(2,5-dimethoxyanilino)-2-oxoethyl]sulfanylphenyl]acetamide
CID 23096738
2-[4-chloro-3-(trifluoromethyl)phenyl]sulfanyl-N-(2,5-dimethoxyphenyl)acetamide
CID 7744036
N-(2,5-dimethoxyphenyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide
CID 17434098
[2-(2,5-dimethoxyanilino)-2-oxoethyl] 2-(4-chlorophenyl)sulfanylacetate
CID 2497046
N,N'-bis(2,5-dimethoxyphenyl)butanediamide
CID 1011774
2-[(5,6-diethyl-1,2,4-triazin-3-yl)sulfanyl]-N-(2,5-dimethoxyphenyl)acetamide
CID 6402774
N-(2,5-dimethoxyphenyl)-2-(6-methoxy-3-methylquinolin-2-yl)sulfanylacetamide
CID 3171524
2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2,5-dimethoxyphenyl)acetamide
CID 3374727

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-2-(4-methoxyphenyl)sulfanylacetamide?
The IUPAC name of N-(2,5-dimethoxyphenyl)-2-(4-methoxyphenyl)sulfanylacetamide (CID 8907113) is N-(2,5-dimethoxyphenyl)-2-(4-methoxyphenyl)sulfanylacetamide.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-2-(4-methoxyphenyl)sulfanylacetamide?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-2-(4-methoxyphenyl)sulfanylacetamide is COc1ccc(SCC(=O)Nc2cc(OC)ccc2OC)cc1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-2-(4-methoxyphenyl)sulfanylacetamide?
The InChIKey is RRIXFCQWZCPXFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO4S/c1-20-12-4-7-14(8-5-12)23-11-17(19)18-15-10-13(21-2)6-9-16(15)22-3/h4-10H,11H2,1-3H3,(H,18,19).
What are the key properties of N-(2,5-dimethoxyphenyl)-2-(4-methoxyphenyl)sulfanylacetamide?
N-(2,5-dimethoxyphenyl)-2-(4-methoxyphenyl)sulfanylacetamide has a molecular weight of 333.41 g/mol, XLogP of 3.44, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)-2-(4-methoxyphenyl)sulfanylacetamide is sourced from PubChem (CID 8907113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).