2-[(2-chlorophenyl)methylsulfanyl]-N-(4-morpholin-4-ylphenyl)acetamide

C19H21ClN2O2S — CID 35148096

IUPAC2-[(2-chlorophenyl)methylsulfanyl]-N-(4-morpholin-4-ylphenyl)acetamide
SMILESO=C(CSCc1ccccc1Cl)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C19H21ClN2O2S/c20-18-4-2-1-3-15(18)13-25-14-19(23)21-16-5-7-17(8-6-16)22-9-11-24-12-10-22/h1-8H,9-14H2,(H,21,23)
InChIKeyRUPZHSIGTBCRFI-UHFFFAOYSA-N
MW376.91 g/mol
LogP4.05
Rot. Bonds6

About 2-[(2-chlorophenyl)methylsulfanyl]-N-(4-morpholin-4-ylphenyl)acetamide

2-[(2-chlorophenyl)methylsulfanyl]-N-(4-morpholin-4-ylphenyl)acetamide (PubChem CID 35148096) has the molecular formula C19H21ClN2O2S and a molecular weight of 376.91 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methylsulfanyl]-N-(4-morpholin-4-ylphenyl)acetamide.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methylsulfanyl]-N-(4-morpholin-4-ylphenyl)acetamide
PubChem CID35148096
Molecular FormulaC19H21ClN2O2S
Molecular Weight376.91 g/mol
Exact Mass376.10
IUPAC Name2-[(2-chlorophenyl)methylsulfanyl]-N-(4-morpholin-4-ylphenyl)acetamide
SMILESO=C(CSCc1ccccc1Cl)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C19H21ClN2O2S/c20-18-4-2-1-3-15(18)13-25-14-19(23)21-16-5-7-17(8-6-16)22-9-11-24-12-10-22/h1-8H,9-14H2,(H,21,23)
InChIKeyRUPZHSIGTBCRFI-UHFFFAOYSA-N
XLogP4.05
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.91
LogP ≤ 54.05
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-[(4-chloro-2-fluorophenyl)methylsulfanyl]-N-(4-morpholin-4-ylphenyl)acetamide
CID 99824637
2-(2-chlorophenyl)sulfanyl-N-(4-morpholin-4-ylphenyl)acetamide
CID 2337002
2-[(2,6-dichlorophenyl)methylsulfanyl]-N-(4-piperidin-1-ylphenyl)acetamide
CID 100508961
2-(2,6-dichlorophenyl)-N-(4-morpholin-4-ylphenyl)acetamide
CID 4276577
2-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]sulfanylacetic acid
CID 4798116
2-[(4-methylphenyl)methylsulfanyl]-N-(4-morpholin-4-ylphenyl)acetamide
CID 7922333
N-[4-[[2-[(2-chlorophenyl)methylsulfanyl]acetyl]amino]phenyl]-2-methoxyacetamide
CID 38328922
2-[(2-chlorophenyl)methylsulfanyl]-N-(4-methylsulfonylphenyl)acetamide
CID 17444380
2-benzylsulfanyl-N-(4-piperidin-1-ylphenyl)acetamide
CID 7922450
2-chloro-N-[3-(4-morpholin-4-ylanilino)-3-oxopropyl]benzamide
CID 7409258
2-[(2-chlorophenyl)methylsulfanyl]-N-[(3R,4R)-4-morpholin-4-yloxolan-3-yl]acetamide
CID 122560536
2-[(2-chlorophenyl)methylsulfanyl]-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]acetamide
CID 31446247

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methylsulfanyl]-N-(4-morpholin-4-ylphenyl)acetamide?
The IUPAC name of 2-[(2-chlorophenyl)methylsulfanyl]-N-(4-morpholin-4-ylphenyl)acetamide (CID 35148096) is 2-[(2-chlorophenyl)methylsulfanyl]-N-(4-morpholin-4-ylphenyl)acetamide.
What is the SMILES notation for 2-[(2-chlorophenyl)methylsulfanyl]-N-(4-morpholin-4-ylphenyl)acetamide?
The canonical SMILES for 2-[(2-chlorophenyl)methylsulfanyl]-N-(4-morpholin-4-ylphenyl)acetamide is O=C(CSCc1ccccc1Cl)Nc1ccc(N2CCOCC2)cc1.
What is the InChIKey of 2-[(2-chlorophenyl)methylsulfanyl]-N-(4-morpholin-4-ylphenyl)acetamide?
The InChIKey is RUPZHSIGTBCRFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O2S/c20-18-4-2-1-3-15(18)13-25-14-19(23)21-16-5-7-17(8-6-16)22-9-11-24-12-10-22/h1-8H,9-14H2,(H,21,23).
What are the key properties of 2-[(2-chlorophenyl)methylsulfanyl]-N-(4-morpholin-4-ylphenyl)acetamide?
2-[(2-chlorophenyl)methylsulfanyl]-N-(4-morpholin-4-ylphenyl)acetamide has a molecular weight of 376.91 g/mol, XLogP of 4.05, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)methylsulfanyl]-N-(4-morpholin-4-ylphenyl)acetamide is sourced from PubChem (CID 35148096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).