N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-[(3-methylphenyl)methylsulfanyl]acetamide

C24H32N2O4S — CID 26689447

IUPACN-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-[(3-methylphenyl)methylsulfanyl]acetamide
SMILESCCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)CSCc1cccc(C)c1
InChIInChI=1S/C24H32N2O4S/c1-4-29-22-15-21(26-9-11-28-12-10-26)23(30-5-2)14-20(22)25-24(27)17-31-16-19-8-6-7-18(3)13-19/h6-8,13-15H,4-5,9-12,16-17H2,1-3H3,(H,25,27)
InChIKeyUEIULQUKRUSBPG-UHFFFAOYSA-N
MW444.60 g/mol
LogP4.50
Rot. Bonds10

About N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-[(3-methylphenyl)methylsulfanyl]acetamide

N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-[(3-methylphenyl)methylsulfanyl]acetamide (PubChem CID 26689447) has the molecular formula C24H32N2O4S and a molecular weight of 444.60 g/mol. Its IUPAC name is N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-[(3-methylphenyl)methylsulfanyl]acetamide.

Molecular Properties

Compound NameN-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-[(3-methylphenyl)methylsulfanyl]acetamide
PubChem CID26689447
Molecular FormulaC24H32N2O4S
Molecular Weight444.60 g/mol
Exact Mass444.21
IUPAC NameN-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-[(3-methylphenyl)methylsulfanyl]acetamide
SMILESCCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)CSCc1cccc(C)c1
InChIInChI=1S/C24H32N2O4S/c1-4-29-22-15-21(26-9-11-28-12-10-26)23(30-5-2)14-20(22)25-24(27)17-31-16-19-8-6-7-18(3)13-19/h6-8,13-15H,4-5,9-12,16-17H2,1-3H3,(H,25,27)
InChIKeyUEIULQUKRUSBPG-UHFFFAOYSA-N
XLogP4.50
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.60
LogP ≤ 54.50
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-methylsulfanylacetamide
CID 9079407
N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-(3-fluorophenyl)acetamide
CID 8023801
N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-3-phenylpropanamide
CID 18209443
N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-pyrimidin-2-ylsulfanylacetamide
CID 3432332
N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-3-(4-methylphenyl)sulfonylpropanamide
CID 26413933
N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-fluorobenzamide
CID 2439401
2-[(3-cyanophenyl)methyl-methylamino]-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)acetamide
CID 55628481
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
N-(2,5-diethoxy-4-morpholin-4-ylphenyl)naphthalene-1-carboxamide
CID 9079458
2-O-[2-(2,5-diethoxy-4-morpholin-4-ylanilino)-2-oxoethyl] 1-O-methyl benzene-1,2-dicarboxylate
CID 56506026

Frequently Asked Questions

What is the IUPAC name of N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-[(3-methylphenyl)methylsulfanyl]acetamide?
The IUPAC name of N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-[(3-methylphenyl)methylsulfanyl]acetamide (CID 26689447) is N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-[(3-methylphenyl)methylsulfanyl]acetamide.
What is the SMILES notation for N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-[(3-methylphenyl)methylsulfanyl]acetamide?
The canonical SMILES for N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-[(3-methylphenyl)methylsulfanyl]acetamide is CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)CSCc1cccc(C)c1.
What is the InChIKey of N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-[(3-methylphenyl)methylsulfanyl]acetamide?
The InChIKey is UEIULQUKRUSBPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O4S/c1-4-29-22-15-21(26-9-11-28-12-10-26)23(30-5-2)14-20(22)25-24(27)17-31-16-19-8-6-7-18(3)13-19/h6-8,13-15H,4-5,9-12,16-17H2,1-3H3,(H,25,27).
What are the key properties of N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-[(3-methylphenyl)methylsulfanyl]acetamide?
N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-[(3-methylphenyl)methylsulfanyl]acetamide has a molecular weight of 444.60 g/mol, XLogP of 4.50, 10 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-[(3-methylphenyl)methylsulfanyl]acetamide is sourced from PubChem (CID 26689447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).