2-(2-chlorophenyl)sulfanyl-N-(4-morpholin-4-ylphenyl)acetamide

C18H19ClN2O2S — CID 2337002

IUPAC2-(2-chlorophenyl)sulfanyl-N-(4-morpholin-4-ylphenyl)acetamide
SMILESO=C(CSc1ccccc1Cl)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C18H19ClN2O2S/c19-16-3-1-2-4-17(16)24-13-18(22)20-14-5-7-15(8-6-14)21-9-11-23-12-10-21/h1-8H,9-13H2,(H,20,22)
InChIKeyXAEWYQDGPDIZHT-UHFFFAOYSA-N
MW362.88 g/mol
LogP3.91
Rot. Bonds5

About 2-(2-chlorophenyl)sulfanyl-N-(4-morpholin-4-ylphenyl)acetamide

2-(2-chlorophenyl)sulfanyl-N-(4-morpholin-4-ylphenyl)acetamide (PubChem CID 2337002) has the molecular formula C18H19ClN2O2S and a molecular weight of 362.88 g/mol. Its IUPAC name is 2-(2-chlorophenyl)sulfanyl-N-(4-morpholin-4-ylphenyl)acetamide.

Molecular Properties

Compound Name2-(2-chlorophenyl)sulfanyl-N-(4-morpholin-4-ylphenyl)acetamide
PubChem CID2337002
Molecular FormulaC18H19ClN2O2S
Molecular Weight362.88 g/mol
Exact Mass362.09
IUPAC Name2-(2-chlorophenyl)sulfanyl-N-(4-morpholin-4-ylphenyl)acetamide
SMILESO=C(CSc1ccccc1Cl)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C18H19ClN2O2S/c19-16-3-1-2-4-17(16)24-13-18(22)20-14-5-7-15(8-6-14)21-9-11-23-12-10-21/h1-8H,9-13H2,(H,20,22)
InChIKeyXAEWYQDGPDIZHT-UHFFFAOYSA-N
XLogP3.91
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.88
LogP ≤ 53.91
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

2-(2-methylphenyl)sulfanyl-N-(4-morpholin-4-ylphenyl)acetamide
CID 2458170
2-[(2-chlorophenyl)methylsulfanyl]-N-(4-morpholin-4-ylphenyl)acetamide
CID 35148096
2-(2,6-dichlorophenyl)-N-(4-morpholin-4-ylphenyl)acetamide
CID 4276577
[2-(4-morpholin-4-ylanilino)-2-oxoethyl] 2-(8-chloronaphthalen-1-yl)sulfanylacetate
CID 35563806
2-chloro-N-[3-(4-morpholin-4-ylanilino)-3-oxopropyl]benzamide
CID 7409258
2-(4-fluorophenyl)sulfanyl-N-(4-morpholin-4-ylphenyl)acetamide
CID 2994341
2-[[5-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(4-morpholin-4-ylphenyl)acetamide
CID 4149083
N-(4-morpholin-4-ylphenyl)-2-(2,4,6-trimethylphenyl)sulfanylacetamide
CID 7751943
2-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]sulfanylacetic acid
CID 4798116
2-(2,5-dichlorophenyl)sulfanyl-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 30857693
N-(4-morpholin-4-ylphenyl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylbenzamide
CID 5206302
2-isoquinolin-1-ylsulfanyl-N-(4-morpholin-4-ylphenyl)acetamide
CID 3789968

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)sulfanyl-N-(4-morpholin-4-ylphenyl)acetamide?
The IUPAC name of 2-(2-chlorophenyl)sulfanyl-N-(4-morpholin-4-ylphenyl)acetamide (CID 2337002) is 2-(2-chlorophenyl)sulfanyl-N-(4-morpholin-4-ylphenyl)acetamide.
What is the SMILES notation for 2-(2-chlorophenyl)sulfanyl-N-(4-morpholin-4-ylphenyl)acetamide?
The canonical SMILES for 2-(2-chlorophenyl)sulfanyl-N-(4-morpholin-4-ylphenyl)acetamide is O=C(CSc1ccccc1Cl)Nc1ccc(N2CCOCC2)cc1.
What is the InChIKey of 2-(2-chlorophenyl)sulfanyl-N-(4-morpholin-4-ylphenyl)acetamide?
The InChIKey is XAEWYQDGPDIZHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O2S/c19-16-3-1-2-4-17(16)24-13-18(22)20-14-5-7-15(8-6-14)21-9-11-23-12-10-21/h1-8H,9-13H2,(H,20,22).
What are the key properties of 2-(2-chlorophenyl)sulfanyl-N-(4-morpholin-4-ylphenyl)acetamide?
2-(2-chlorophenyl)sulfanyl-N-(4-morpholin-4-ylphenyl)acetamide has a molecular weight of 362.88 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)sulfanyl-N-(4-morpholin-4-ylphenyl)acetamide is sourced from PubChem (CID 2337002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).