N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-pyrimidin-2-ylsulfanylacetamide

C20H26N4O4S — CID 3432332

IUPACN-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-pyrimidin-2-ylsulfanylacetamide
SMILESCCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)CSc1ncccn1
InChIInChI=1S/C20H26N4O4S/c1-3-27-17-13-16(24-8-10-26-11-9-24)18(28-4-2)12-15(17)23-19(25)14-29-20-21-6-5-7-22-20/h5-7,12-13H,3-4,8-11,14H2,1-2H3,(H,23,25)
InChIKeyBMVDFDFOKHDVSF-UHFFFAOYSA-N
MW418.52 g/mol
LogP2.84
Rot. Bonds9

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

N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-pyrimidin-2-ylsulfanylacetamide (PubChem CID 3432332) has the molecular formula C20H26N4O4S and a molecular weight of 418.52 g/mol. Its IUPAC name is N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-pyrimidin-2-ylsulfanylacetamide.

Molecular Properties

Compound NameN-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-pyrimidin-2-ylsulfanylacetamide
PubChem CID3432332
Molecular FormulaC20H26N4O4S
Molecular Weight418.52 g/mol
Exact Mass418.17
IUPAC NameN-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-pyrimidin-2-ylsulfanylacetamide
SMILESCCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)CSc1ncccn1
InChIInChI=1S/C20H26N4O4S/c1-3-27-17-13-16(24-8-10-26-11-9-24)18(28-4-2)12-15(17)23-19(25)14-29-20-21-6-5-7-22-20/h5-7,12-13H,3-4,8-11,14H2,1-2H3,(H,23,25)
InChIKeyBMVDFDFOKHDVSF-UHFFFAOYSA-N
XLogP2.84
TPSA85.81 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.52
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-methylsulfanylacetamide
CID 9079407
ethyl 2-[2-(2,5-diethoxy-4-morpholin-4-ylanilino)-2-oxoethyl]sulfanylacetate
CID 7952651
cyclopentyl-[2-(2,5-diethoxy-4-morpholin-4-ylanilino)-2-oxoethyl]-dimethylazanium
CID 8875582
N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-3-phenylpropanamide
CID 18209443
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)-2-[(3-methylphenyl)methylsulfanyl]acetamide
CID 26689447
2-butoxy-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)acetamide
CID 3508709
N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-[1-(4-methoxyphenyl)benzimidazol-2-yl]sulfanylacetamide
CID 3957299
N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-(3-fluorophenyl)acetamide
CID 8023801
2-(1-adamantyl)-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)acetamide
CID 4877971
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-pyrimidin-2-ylsulfanylacetamide?
The IUPAC name of N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-pyrimidin-2-ylsulfanylacetamide (CID 3432332) is N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-pyrimidin-2-ylsulfanylacetamide.
What is the SMILES notation for N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-pyrimidin-2-ylsulfanylacetamide?
The canonical SMILES for N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-pyrimidin-2-ylsulfanylacetamide is CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)CSc1ncccn1.
What is the InChIKey of N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-pyrimidin-2-ylsulfanylacetamide?
The InChIKey is BMVDFDFOKHDVSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O4S/c1-3-27-17-13-16(24-8-10-26-11-9-24)18(28-4-2)12-15(17)23-19(25)14-29-20-21-6-5-7-22-20/h5-7,12-13H,3-4,8-11,14H2,1-2H3,(H,23,25).
What are the key properties of N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-pyrimidin-2-ylsulfanylacetamide?
N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-pyrimidin-2-ylsulfanylacetamide has a molecular weight of 418.52 g/mol, XLogP of 2.84, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-pyrimidin-2-ylsulfanylacetamide is sourced from PubChem (CID 3432332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).