(2R)-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-(3,4-difluorophenyl)sulfanylpropanamide

C23H28F2N2O4S — CID 41204315

IUPAC(2R)-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-(3,4-difluorophenyl)sulfanylpropanamide
SMILESCCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)[C@@H](C)Sc1ccc(F)c(F)c1
InChIInChI=1S/C23H28F2N2O4S/c1-4-30-21-14-20(27-8-10-29-11-9-27)22(31-5-2)13-19(21)26-23(28)15(3)32-16-6-7-17(24)18(25)12-16/h6-7,12-15H,4-5,8-11H2,1-3H3,(H,26,28)/t15-/m1/s1
InChIKeyLFIZRQPRKBXNRZ-OAHLLOKOSA-N
MW466.55 g/mol
LogP4.72
Rot. Bonds9

About (2R)-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-(3,4-difluorophenyl)sulfanylpropanamide

(2R)-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-(3,4-difluorophenyl)sulfanylpropanamide (PubChem CID 41204315) has the molecular formula C23H28F2N2O4S and a molecular weight of 466.55 g/mol. Its IUPAC name is (2R)-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-(3,4-difluorophenyl)sulfanylpropanamide.

Molecular Properties

Compound Name(2R)-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-(3,4-difluorophenyl)sulfanylpropanamide
PubChem CID41204315
Molecular FormulaC23H28F2N2O4S
Molecular Weight466.55 g/mol
Exact Mass466.17
IUPAC Name(2R)-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-(3,4-difluorophenyl)sulfanylpropanamide
SMILESCCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)[C@@H](C)Sc1ccc(F)c(F)c1
InChIInChI=1S/C23H28F2N2O4S/c1-4-30-21-14-20(27-8-10-29-11-9-27)22(31-5-2)13-19(21)26-23(28)15(3)32-16-6-7-17(24)18(25)12-16/h6-7,12-15H,4-5,8-11H2,1-3H3,(H,26,28)/t15-/m1/s1
InChIKeyLFIZRQPRKBXNRZ-OAHLLOKOSA-N
XLogP4.72
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.55
LogP ≤ 54.72
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

N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-methylsulfanylacetamide
CID 9079407
(2S)-2-(azepan-1-yl)-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)propanamide
CID 9323693
N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-phenoxypropanamide
CID 3450203
N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-fluorobenzamide
CID 2439401
(2S)-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-(1,3-dioxoisoindol-2-yl)propanamide
CID 41056650
[2-(2,5-diethoxy-4-morpholin-4-ylanilino)-2-oxoethyl] 2-methylpropanoate
CID 7780747
N-[1-(2,5-diethoxy-4-morpholin-4-ylanilino)-3-methyl-1-oxopentan-2-yl]benzamide
CID 55345333
1-(2,5-diethoxy-4-morpholin-4-ylphenyl)-3-propan-2-ylthiourea
CID 8627378
N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-(3-fluorophenyl)acetamide
CID 8023801
(2S)-2-[(3aR,7aR)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)propanamide
CID 98215981
N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-fluoro-5-morpholin-4-ylsulfonylbenzamide
CID 3686444
4-(4-chlorophenyl)-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-4-oxobutanamide
CID 26664489

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-(3,4-difluorophenyl)sulfanylpropanamide?
The IUPAC name of (2R)-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-(3,4-difluorophenyl)sulfanylpropanamide (CID 41204315) is (2R)-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-(3,4-difluorophenyl)sulfanylpropanamide.
What is the SMILES notation for (2R)-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-(3,4-difluorophenyl)sulfanylpropanamide?
The canonical SMILES for (2R)-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-(3,4-difluorophenyl)sulfanylpropanamide is CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)[C@@H](C)Sc1ccc(F)c(F)c1.
What is the InChIKey of (2R)-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-(3,4-difluorophenyl)sulfanylpropanamide?
The InChIKey is LFIZRQPRKBXNRZ-OAHLLOKOSA-N. The full InChI is InChI=1S/C23H28F2N2O4S/c1-4-30-21-14-20(27-8-10-29-11-9-27)22(31-5-2)13-19(21)26-23(28)15(3)32-16-6-7-17(24)18(25)12-16/h6-7,12-15H,4-5,8-11H2,1-3H3,(H,26,28)/t15-/m1/s1.
What are the key properties of (2R)-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-(3,4-difluorophenyl)sulfanylpropanamide?
(2R)-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-(3,4-difluorophenyl)sulfanylpropanamide has a molecular weight of 466.55 g/mol, XLogP of 4.72, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-(3,4-difluorophenyl)sulfanylpropanamide is sourced from PubChem (CID 41204315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).