N-(2-cyanoethyl)-2-(2,4-dimethylphenyl)sulfanyl-N-(2-methoxyphenyl)acetamide

C20H22N2O2S — CID 8786837

IUPACN-(2-cyanoethyl)-2-(2,4-dimethylphenyl)sulfanyl-N-(2-methoxyphenyl)acetamide
SMILESCOc1ccccc1N(CCC#N)C(=O)CSc1ccc(C)cc1C
InChIInChI=1S/C20H22N2O2S/c1-15-9-10-19(16(2)13-15)25-14-20(23)22(12-6-11-21)17-7-4-5-8-18(17)24-3/h4-5,7-10,13H,6,12,14H2,1-3H3
InChIKeySEQMPETZSFLDEA-UHFFFAOYSA-N
MW354.48 g/mol
LogP4.35
Rot. Bonds7

About N-(2-cyanoethyl)-2-(2,4-dimethylphenyl)sulfanyl-N-(2-methoxyphenyl)acetamide

N-(2-cyanoethyl)-2-(2,4-dimethylphenyl)sulfanyl-N-(2-methoxyphenyl)acetamide (PubChem CID 8786837) has the molecular formula C20H22N2O2S and a molecular weight of 354.48 g/mol. Its IUPAC name is N-(2-cyanoethyl)-2-(2,4-dimethylphenyl)sulfanyl-N-(2-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-2-(2,4-dimethylphenyl)sulfanyl-N-(2-methoxyphenyl)acetamide
PubChem CID8786837
Molecular FormulaC20H22N2O2S
Molecular Weight354.48 g/mol
Exact Mass354.14
IUPAC NameN-(2-cyanoethyl)-2-(2,4-dimethylphenyl)sulfanyl-N-(2-methoxyphenyl)acetamide
SMILESCOc1ccccc1N(CCC#N)C(=O)CSc1ccc(C)cc1C
InChIInChI=1S/C20H22N2O2S/c1-15-9-10-19(16(2)13-15)25-14-20(23)22(12-6-11-21)17-7-4-5-8-18(17)24-3/h4-5,7-10,13H,6,12,14H2,1-3H3
InChIKeySEQMPETZSFLDEA-UHFFFAOYSA-N
XLogP4.35
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.48
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-cyanoethyl)-2-(2,4-dimethylphenyl)sulfanyl-N-(2-fluorophenyl)acetamide
CID 8786834
N-(2-cyanoethyl)-2-(2,4-dimethylphenyl)sulfanyl-N-(4-methylphenyl)acetamide
CID 2086785
N,N-bis(2-cyanoethyl)-2-(2,4-dimethylphenyl)sulfanylacetamide
CID 30422819
N-(2-cyanoethyl)-N-(2-methoxyphenyl)-2-quinolin-2-ylsulfanylacetamide
CID 7754877
2-(1-adamantylsulfanyl)-N-(2-cyanoethyl)-N-(2-methoxyphenyl)acetamide
CID 8513137
[2-[N-(2-cyanoethyl)-4-methylanilino]-2-oxoethyl] 2-(2,4-dimethylphenyl)sulfanylacetate
CID 7675972
N-(2-cyanoethyl)-N-(2-methoxyphenyl)-2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 7895043
N,N-bis(2-cyanoethyl)-2-(2-methoxyphenyl)sulfanylacetamide
CID 51095132
N-(2-cyanoethyl)-2-[(4,6-dichloro-1H-benzimidazol-2-yl)sulfanyl]-N-(2-methoxyphenyl)acetamide
CID 2311762
N-(2-cyanoethyl)-2-[1-(2-methoxy-5-methylphenyl)tetrazol-5-yl]sulfanyl-N-phenylacetamide
CID 2608994
2-[[2-(2,4-dimethylphenyl)sulfanylacetyl]-propylamino]-N-(2-methoxyphenyl)acetamide
CID 8786909
N-(2-cyanoethyl)-N-(2-methoxyphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 8543225

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-2-(2,4-dimethylphenyl)sulfanyl-N-(2-methoxyphenyl)acetamide?
The IUPAC name of N-(2-cyanoethyl)-2-(2,4-dimethylphenyl)sulfanyl-N-(2-methoxyphenyl)acetamide (CID 8786837) is N-(2-cyanoethyl)-2-(2,4-dimethylphenyl)sulfanyl-N-(2-methoxyphenyl)acetamide.
What is the SMILES notation for N-(2-cyanoethyl)-2-(2,4-dimethylphenyl)sulfanyl-N-(2-methoxyphenyl)acetamide?
The canonical SMILES for N-(2-cyanoethyl)-2-(2,4-dimethylphenyl)sulfanyl-N-(2-methoxyphenyl)acetamide is COc1ccccc1N(CCC#N)C(=O)CSc1ccc(C)cc1C.
What is the InChIKey of N-(2-cyanoethyl)-2-(2,4-dimethylphenyl)sulfanyl-N-(2-methoxyphenyl)acetamide?
The InChIKey is SEQMPETZSFLDEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2S/c1-15-9-10-19(16(2)13-15)25-14-20(23)22(12-6-11-21)17-7-4-5-8-18(17)24-3/h4-5,7-10,13H,6,12,14H2,1-3H3.
What are the key properties of N-(2-cyanoethyl)-2-(2,4-dimethylphenyl)sulfanyl-N-(2-methoxyphenyl)acetamide?
N-(2-cyanoethyl)-2-(2,4-dimethylphenyl)sulfanyl-N-(2-methoxyphenyl)acetamide has a molecular weight of 354.48 g/mol, XLogP of 4.35, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-2-(2,4-dimethylphenyl)sulfanyl-N-(2-methoxyphenyl)acetamide is sourced from PubChem (CID 8786837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).