2-(2,5-dichlorophenyl)sulfanyl-N-(4-morpholin-4-ylphenyl)acetamide

C18H18Cl2N2O2S — CID 4857878

IUPAC2-(2,5-dichlorophenyl)sulfanyl-N-(4-morpholin-4-ylphenyl)acetamide
SMILESO=C(CSc1cc(Cl)ccc1Cl)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C18H18Cl2N2O2S/c19-13-1-6-16(20)17(11-13)25-12-18(23)21-14-2-4-15(5-3-14)22-7-9-24-10-8-22/h1-6,11H,7-10,12H2,(H,21,23)
InChIKeySNTRFLVVHSWVAB-UHFFFAOYSA-N
MW397.33 g/mol
LogP4.56
Rot. Bonds5

About 2-(2,5-dichlorophenyl)sulfanyl-N-(4-morpholin-4-ylphenyl)acetamide

2-(2,5-dichlorophenyl)sulfanyl-N-(4-morpholin-4-ylphenyl)acetamide (PubChem CID 4857878) has the molecular formula C18H18Cl2N2O2S and a molecular weight of 397.33 g/mol. Its IUPAC name is 2-(2,5-dichlorophenyl)sulfanyl-N-(4-morpholin-4-ylphenyl)acetamide.

Molecular Properties

Compound Name2-(2,5-dichlorophenyl)sulfanyl-N-(4-morpholin-4-ylphenyl)acetamide
PubChem CID4857878
Molecular FormulaC18H18Cl2N2O2S
Molecular Weight397.33 g/mol
Exact Mass396.05
IUPAC Name2-(2,5-dichlorophenyl)sulfanyl-N-(4-morpholin-4-ylphenyl)acetamide
SMILESO=C(CSc1cc(Cl)ccc1Cl)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C18H18Cl2N2O2S/c19-13-1-6-16(20)17(11-13)25-12-18(23)21-14-2-4-15(5-3-14)22-7-9-24-10-8-22/h1-6,11H,7-10,12H2,(H,21,23)
InChIKeySNTRFLVVHSWVAB-UHFFFAOYSA-N
XLogP4.56
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.33
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-fluoro-4-morpholinophenyl)-2-(phenylsulfanyl)acetamide
CID 3753436
N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2-phenylsulfanylacetamide
CID 5021320
2-(2-fluorophenyl)sulfanyl-N-(4-morpholin-4-ylphenyl)acetamide
CID 4792203
N-[3-chloro-4-(morpholin-4-yl)phenyl]-2-[(4-fluorophenyl)sulfanyl]acetamide
CID 2995805
2-[(2-aminophenyl)sulfanyl]-N-(4-morpholinophenyl)acetamide
CID 1481586
N-[2-(4-chlorophenyl)sulfanylphenyl]-2-morpholin-4-ylacetamide
CID 2091420
N-[4-(morpholin-4-yl)phenyl]-2-(phenylsulfanyl)acetamide
CID 2342604
3-(4-chlorophenyl)sulfonyl-N-(4-morpholin-4-ylphenyl)propanamide
CID 2437686
2-(4-fluorophenyl)sulfanyl-N-(4-morpholin-4-ylphenyl)acetamide
CID 2994341
2,5-dichloro-N-(4-morpholin-4-ylphenyl)benzenesulfonamide
CID 3750785
2-(4-chlorophenyl)sulfanyl-N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]propanamide
CID 24980805
[2-Oxo-2-(2,3,4-trifluoroanilino)ethyl] 2-(2,5-dichlorophenyl)sulfanylacetate
CID 2355450

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dichlorophenyl)sulfanyl-N-(4-morpholin-4-ylphenyl)acetamide?
The IUPAC name of 2-(2,5-dichlorophenyl)sulfanyl-N-(4-morpholin-4-ylphenyl)acetamide (CID 4857878) is 2-(2,5-dichlorophenyl)sulfanyl-N-(4-morpholin-4-ylphenyl)acetamide.
What is the SMILES notation for 2-(2,5-dichlorophenyl)sulfanyl-N-(4-morpholin-4-ylphenyl)acetamide?
The canonical SMILES for 2-(2,5-dichlorophenyl)sulfanyl-N-(4-morpholin-4-ylphenyl)acetamide is O=C(CSc1cc(Cl)ccc1Cl)Nc1ccc(N2CCOCC2)cc1.
What is the InChIKey of 2-(2,5-dichlorophenyl)sulfanyl-N-(4-morpholin-4-ylphenyl)acetamide?
The InChIKey is SNTRFLVVHSWVAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Cl2N2O2S/c19-13-1-6-16(20)17(11-13)25-12-18(23)21-14-2-4-15(5-3-14)22-7-9-24-10-8-22/h1-6,11H,7-10,12H2,(H,21,23).
What are the key properties of 2-(2,5-dichlorophenyl)sulfanyl-N-(4-morpholin-4-ylphenyl)acetamide?
2-(2,5-dichlorophenyl)sulfanyl-N-(4-morpholin-4-ylphenyl)acetamide has a molecular weight of 397.33 g/mol, XLogP of 4.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dichlorophenyl)sulfanyl-N-(4-morpholin-4-ylphenyl)acetamide is sourced from PubChem (CID 4857878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).