N-(2,5-dimethoxyphenyl)-2-(2-morpholin-4-ylethylsulfanyl)acetamide

C16H24N2O4S — CID 134064364

IUPACN-(2,5-dimethoxyphenyl)-2-(2-morpholin-4-ylethylsulfanyl)acetamide
SMILESCOc1ccc(OC)c(NC(=O)CSCCN2CCOCC2)c1
InChIInChI=1S/C16H24N2O4S/c1-20-13-3-4-15(21-2)14(11-13)17-16(19)12-23-10-7-18-5-8-22-9-6-18/h3-4,11H,5-10,12H2,1-2H3,(H,17,19)
InChIKeyKPJISRNRTTZPPQ-UHFFFAOYSA-N
MW340.44 g/mol
LogP1.71
Rot. Bonds8

About N-(2,5-dimethoxyphenyl)-2-(2-morpholin-4-ylethylsulfanyl)acetamide

N-(2,5-dimethoxyphenyl)-2-(2-morpholin-4-ylethylsulfanyl)acetamide (PubChem CID 134064364) has the molecular formula C16H24N2O4S and a molecular weight of 340.44 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-2-(2-morpholin-4-ylethylsulfanyl)acetamide.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-2-(2-morpholin-4-ylethylsulfanyl)acetamide
PubChem CID134064364
Molecular FormulaC16H24N2O4S
Molecular Weight340.44 g/mol
Exact Mass340.15
IUPAC NameN-(2,5-dimethoxyphenyl)-2-(2-morpholin-4-ylethylsulfanyl)acetamide
SMILESCOc1ccc(OC)c(NC(=O)CSCCN2CCOCC2)c1
InChIInChI=1S/C16H24N2O4S/c1-20-13-3-4-15(21-2)14(11-13)17-16(19)12-23-10-7-18-5-8-22-9-6-18/h3-4,11H,5-10,12H2,1-2H3,(H,17,19)
InChIKeyKPJISRNRTTZPPQ-UHFFFAOYSA-N
XLogP1.71
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.44
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[2-(2,5-dimethoxyanilino)-2-oxoethyl]sulfanyl-N-(2,5-dimethoxyphenyl)acetamide
CID 35495479
N-(2,4-dimethoxyphenyl)-3-morpholin-4-ylpropanamide
CID 772656
N-(2,5-dimethoxyphenyl)-2-[2-(4-ethoxyphenoxy)ethylsulfanyl]acetamide
CID 31544280
N-(2,5-dimethoxyphenyl)-2-[2-(4-propoxyphenoxy)ethylsulfanyl]acetamide
CID 31547774
N-(2,5-dimethoxyphenyl)-4-(morpholin-4-ylmethyl)benzamide
CID 1106324
N-(2,5-dimethoxyphenyl)-3-[4-(4-methoxyphenyl)piperazin-1-yl]propanamide
CID 109033777
N-(2,5-dimethoxyphenyl)-2-[[1-(3-morpholin-4-ylpropyl)-2-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]sulfanyl]acetamide
CID 18578521
3-(4-acetylpiperazin-1-yl)-N-(2,5-dimethoxyphenyl)propanamide
CID 109018366
N-(2,5-dimethoxyphenyl)-2-pyrrolidin-1-ylacetamide
CID 8901780
N-(2,5-dimethoxyphenyl)-2-[6-(morpholin-4-ylmethyl)-4-oxopyran-3-yl]oxyacetamide
CID 51053797
N-(2,5-dimethoxyphenyl)-3-(morpholin-4-ylmethyl)benzamide
CID 28572616
N-(2,5-dimethoxyphenyl)-6-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide
CID 109344509

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-2-(2-morpholin-4-ylethylsulfanyl)acetamide?
The IUPAC name of N-(2,5-dimethoxyphenyl)-2-(2-morpholin-4-ylethylsulfanyl)acetamide (CID 134064364) is N-(2,5-dimethoxyphenyl)-2-(2-morpholin-4-ylethylsulfanyl)acetamide.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-2-(2-morpholin-4-ylethylsulfanyl)acetamide?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-2-(2-morpholin-4-ylethylsulfanyl)acetamide is COc1ccc(OC)c(NC(=O)CSCCN2CCOCC2)c1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-2-(2-morpholin-4-ylethylsulfanyl)acetamide?
The InChIKey is KPJISRNRTTZPPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O4S/c1-20-13-3-4-15(21-2)14(11-13)17-16(19)12-23-10-7-18-5-8-22-9-6-18/h3-4,11H,5-10,12H2,1-2H3,(H,17,19).
What are the key properties of N-(2,5-dimethoxyphenyl)-2-(2-morpholin-4-ylethylsulfanyl)acetamide?
N-(2,5-dimethoxyphenyl)-2-(2-morpholin-4-ylethylsulfanyl)acetamide has a molecular weight of 340.44 g/mol, XLogP of 1.71, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)-2-(2-morpholin-4-ylethylsulfanyl)acetamide is sourced from PubChem (CID 134064364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).