N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-methylsulfanylacetamide

C17H26N2O4S — CID 9079407

IUPACN-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-methylsulfanylacetamide
SMILESCCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)CSC
InChIInChI=1S/C17H26N2O4S/c1-4-22-15-11-14(19-6-8-21-9-7-19)16(23-5-2)10-13(15)18-17(20)12-24-3/h10-11H,4-9,12H2,1-3H3,(H,18,20)
InChIKeyLCGCKHHWOAVMKU-UHFFFAOYSA-N
MW354.47 g/mol
LogP2.62
Rot. Bonds8

About N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-methylsulfanylacetamide

N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-methylsulfanylacetamide (PubChem CID 9079407) has the molecular formula C17H26N2O4S and a molecular weight of 354.47 g/mol. Its IUPAC name is N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-methylsulfanylacetamide.

Molecular Properties

Compound NameN-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-methylsulfanylacetamide
PubChem CID9079407
Molecular FormulaC17H26N2O4S
Molecular Weight354.47 g/mol
Exact Mass354.16
IUPAC NameN-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-methylsulfanylacetamide
SMILESCCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)CSC
InChIInChI=1S/C17H26N2O4S/c1-4-22-15-11-14(19-6-8-21-9-7-19)16(23-5-2)10-13(15)18-17(20)12-24-3/h10-11H,4-9,12H2,1-3H3,(H,18,20)
InChIKeyLCGCKHHWOAVMKU-UHFFFAOYSA-N
XLogP2.62
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.47
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-[2-(2,5-diethoxy-4-morpholin-4-ylanilino)-2-oxoethyl]sulfanylacetate
CID 7952651
N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-pyrimidin-2-ylsulfanylacetamide
CID 3432332
N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-pyrrolidin-1-ium-1-ylacetamide
CID 7395843
[2-(2,5-diethoxy-4-morpholin-4-ylanilino)-2-oxoethyl] 2-methylpropanoate
CID 7780747
2-butoxy-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)acetamide
CID 3508709
N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-3-phenylpropanamide
CID 18209443
N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-[(3-methylphenyl)methylsulfanyl]acetamide
CID 26689447
2-(1-adamantyl)-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)acetamide
CID 4877971
cyclopentyl-[2-(2,5-diethoxy-4-morpholin-4-ylanilino)-2-oxoethyl]-dimethylazanium
CID 8875582
N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-(3-fluorophenyl)acetamide
CID 8023801
4-(4-chlorophenyl)-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-4-oxobutanamide
CID 26664489
[2-(2,5-diethoxy-4-morpholin-4-ylanilino)-2-oxoethyl] 4-hydroxybenzoate
CID 16539860

Frequently Asked Questions

What is the IUPAC name of N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-methylsulfanylacetamide?
The IUPAC name of N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-methylsulfanylacetamide (CID 9079407) is N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-methylsulfanylacetamide.
What is the SMILES notation for N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-methylsulfanylacetamide?
The canonical SMILES for N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-methylsulfanylacetamide is CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)CSC.
What is the InChIKey of N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-methylsulfanylacetamide?
The InChIKey is LCGCKHHWOAVMKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O4S/c1-4-22-15-11-14(19-6-8-21-9-7-19)16(23-5-2)10-13(15)18-17(20)12-24-3/h10-11H,4-9,12H2,1-3H3,(H,18,20).
What are the key properties of N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-methylsulfanylacetamide?
N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-methylsulfanylacetamide has a molecular weight of 354.47 g/mol, XLogP of 2.62, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-methylsulfanylacetamide is sourced from PubChem (CID 9079407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).