2-[2-(3,4-dimethoxyanilino)-2-oxoethyl]sulfanyl-N-(4-methylphenyl)acetamide

C19H22N2O4S — CID 9458010

IUPAC2-[2-(3,4-dimethoxyanilino)-2-oxoethyl]sulfanyl-N-(4-methylphenyl)acetamide
SMILESCOc1ccc(NC(=O)CSCC(=O)Nc2ccc(C)cc2)cc1OC
InChIInChI=1S/C19H22N2O4S/c1-13-4-6-14(7-5-13)20-18(22)11-26-12-19(23)21-15-8-9-16(24-2)17(10-15)25-3/h4-10H,11-12H2,1-3H3,(H,20,22)(H,21,23)
InChIKeyVUZWDQLGWQYYJP-UHFFFAOYSA-N
MW374.46 g/mol
LogP3.32
Rot. Bonds8

About 2-[2-(3,4-dimethoxyanilino)-2-oxoethyl]sulfanyl-N-(4-methylphenyl)acetamide

2-[2-(3,4-dimethoxyanilino)-2-oxoethyl]sulfanyl-N-(4-methylphenyl)acetamide (PubChem CID 9458010) has the molecular formula C19H22N2O4S and a molecular weight of 374.46 g/mol. Its IUPAC name is 2-[2-(3,4-dimethoxyanilino)-2-oxoethyl]sulfanyl-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[2-(3,4-dimethoxyanilino)-2-oxoethyl]sulfanyl-N-(4-methylphenyl)acetamide
PubChem CID9458010
Molecular FormulaC19H22N2O4S
Molecular Weight374.46 g/mol
Exact Mass374.13
IUPAC Name2-[2-(3,4-dimethoxyanilino)-2-oxoethyl]sulfanyl-N-(4-methylphenyl)acetamide
SMILESCOc1ccc(NC(=O)CSCC(=O)Nc2ccc(C)cc2)cc1OC
InChIInChI=1S/C19H22N2O4S/c1-13-4-6-14(7-5-13)20-18(22)11-26-12-19(23)21-15-8-9-16(24-2)17(10-15)25-3/h4-10H,11-12H2,1-3H3,(H,20,22)(H,21,23)
InChIKeyVUZWDQLGWQYYJP-UHFFFAOYSA-N
XLogP3.32
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.46
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(3,4-dimethoxyanilino)-2-oxoethyl]sulfanyl-N-(4-ethylphenyl)acetamide
CID 7731832
N-(3,4-dimethoxyphenyl)-2-(2,4-dimethylphenyl)sulfanylacetamide
CID 2708642
N,N'-bis(3,4-dimethoxyphenyl)propanediamide
CID 21232287
2-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]sulfanyl-N-(2-methoxy-5-methylphenyl)acetamide
CID 1447930
2-[2-[(2S)-2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]sulfanyl-N-(4-methylphenyl)acetamide
CID 32906737
N-(3,4-dimethoxyphenyl)-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 2616969
[2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2-[2-(4-methylanilino)-2-oxoethyl]sulfanylacetate
CID 7813464
N-(3,4-dimethoxyphenyl)-2-(2,4-dimethylphenyl)acetamide
CID 100756178
N-(3,4-dimethoxyphenyl)-2-[[3-(4-methylphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]acetamide
CID 7119341
N-(3,4-dimethoxyphenyl)-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]acetamide
CID 55732569
2-[2-(3-fluoro-4-methoxyanilino)-2-oxoethyl]sulfanylacetic acid
CID 113427666
N-(4-fluorophenyl)-2-[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl]sulfanylacetamide
CID 24536642

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,4-dimethoxyanilino)-2-oxoethyl]sulfanyl-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-[2-(3,4-dimethoxyanilino)-2-oxoethyl]sulfanyl-N-(4-methylphenyl)acetamide (CID 9458010) is 2-[2-(3,4-dimethoxyanilino)-2-oxoethyl]sulfanyl-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-[2-(3,4-dimethoxyanilino)-2-oxoethyl]sulfanyl-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-[2-(3,4-dimethoxyanilino)-2-oxoethyl]sulfanyl-N-(4-methylphenyl)acetamide is COc1ccc(NC(=O)CSCC(=O)Nc2ccc(C)cc2)cc1OC.
What is the InChIKey of 2-[2-(3,4-dimethoxyanilino)-2-oxoethyl]sulfanyl-N-(4-methylphenyl)acetamide?
The InChIKey is VUZWDQLGWQYYJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4S/c1-13-4-6-14(7-5-13)20-18(22)11-26-12-19(23)21-15-8-9-16(24-2)17(10-15)25-3/h4-10H,11-12H2,1-3H3,(H,20,22)(H,21,23).
What are the key properties of 2-[2-(3,4-dimethoxyanilino)-2-oxoethyl]sulfanyl-N-(4-methylphenyl)acetamide?
2-[2-(3,4-dimethoxyanilino)-2-oxoethyl]sulfanyl-N-(4-methylphenyl)acetamide has a molecular weight of 374.46 g/mol, XLogP of 3.32, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,4-dimethoxyanilino)-2-oxoethyl]sulfanyl-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 9458010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).