2-chloro-5-methylsulfanyl-N-(4-morpholin-4-ylphenyl)benzamide

C18H19ClN2O2S — CID 2460714

IUPAC2-chloro-5-methylsulfanyl-N-(4-morpholin-4-ylphenyl)benzamide
SMILESCSc1ccc(Cl)c(C(=O)Nc2ccc(N3CCOCC3)cc2)c1
InChIInChI=1S/C18H19ClN2O2S/c1-24-15-6-7-17(19)16(12-15)18(22)20-13-2-4-14(5-3-13)21-8-10-23-11-9-21/h2-7,12H,8-11H2,1H3,(H,20,22)
InChIKeyDFUNAFNFAOIQED-UHFFFAOYSA-N
MW362.88 g/mol
LogP4.15
Rot. Bonds4

About 2-chloro-5-methylsulfanyl-N-(4-morpholin-4-ylphenyl)benzamide

2-chloro-5-methylsulfanyl-N-(4-morpholin-4-ylphenyl)benzamide (PubChem CID 2460714) has the molecular formula C18H19ClN2O2S and a molecular weight of 362.88 g/mol. Its IUPAC name is 2-chloro-5-methylsulfanyl-N-(4-morpholin-4-ylphenyl)benzamide.

Molecular Properties

Compound Name2-chloro-5-methylsulfanyl-N-(4-morpholin-4-ylphenyl)benzamide
PubChem CID2460714
Molecular FormulaC18H19ClN2O2S
Molecular Weight362.88 g/mol
Exact Mass362.09
IUPAC Name2-chloro-5-methylsulfanyl-N-(4-morpholin-4-ylphenyl)benzamide
SMILESCSc1ccc(Cl)c(C(=O)Nc2ccc(N3CCOCC3)cc2)c1
InChIInChI=1S/C18H19ClN2O2S/c1-24-15-6-7-17(19)16(12-15)18(22)20-13-2-4-14(5-3-13)21-8-10-23-11-9-21/h2-7,12H,8-11H2,1H3,(H,20,22)
InChIKeyDFUNAFNFAOIQED-UHFFFAOYSA-N
XLogP4.15
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.88
LogP ≤ 54.15
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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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-methylsulfanyl-N-(4-morpholin-4-ylphenyl)benzamide?
The IUPAC name of 2-chloro-5-methylsulfanyl-N-(4-morpholin-4-ylphenyl)benzamide (CID 2460714) is 2-chloro-5-methylsulfanyl-N-(4-morpholin-4-ylphenyl)benzamide.
What is the SMILES notation for 2-chloro-5-methylsulfanyl-N-(4-morpholin-4-ylphenyl)benzamide?
The canonical SMILES for 2-chloro-5-methylsulfanyl-N-(4-morpholin-4-ylphenyl)benzamide is CSc1ccc(Cl)c(C(=O)Nc2ccc(N3CCOCC3)cc2)c1.
What is the InChIKey of 2-chloro-5-methylsulfanyl-N-(4-morpholin-4-ylphenyl)benzamide?
The InChIKey is DFUNAFNFAOIQED-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O2S/c1-24-15-6-7-17(19)16(12-15)18(22)20-13-2-4-14(5-3-13)21-8-10-23-11-9-21/h2-7,12H,8-11H2,1H3,(H,20,22).
What are the key properties of 2-chloro-5-methylsulfanyl-N-(4-morpholin-4-ylphenyl)benzamide?
2-chloro-5-methylsulfanyl-N-(4-morpholin-4-ylphenyl)benzamide has a molecular weight of 362.88 g/mol, XLogP of 4.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-methylsulfanyl-N-(4-morpholin-4-ylphenyl)benzamide is sourced from PubChem (CID 2460714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).