2-(4-methylphenyl)sulfanyl-N-[2-(morpholine-4-carbonyl)phenyl]acetamide

C20H22N2O3S — CID 989339

IUPAC2-(4-methylphenyl)sulfanyl-N-[2-(morpholine-4-carbonyl)phenyl]acetamide
SMILESCc1ccc(SCC(=O)Nc2ccccc2C(=O)N2CCOCC2)cc1
InChIInChI=1S/C20H22N2O3S/c1-15-6-8-16(9-7-15)26-14-19(23)21-18-5-3-2-4-17(18)20(24)22-10-12-25-13-11-22/h2-9H,10-14H2,1H3,(H,21,23)
InChIKeyXNXFREGQLVLAHC-UHFFFAOYSA-N
MW370.47 g/mol
LogP3.20
Rot. Bonds5

About 2-(4-methylphenyl)sulfanyl-N-[2-(morpholine-4-carbonyl)phenyl]acetamide

2-(4-methylphenyl)sulfanyl-N-[2-(morpholine-4-carbonyl)phenyl]acetamide (PubChem CID 989339) has the molecular formula C20H22N2O3S and a molecular weight of 370.47 g/mol. Its IUPAC name is 2-(4-methylphenyl)sulfanyl-N-[2-(morpholine-4-carbonyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-methylphenyl)sulfanyl-N-[2-(morpholine-4-carbonyl)phenyl]acetamide
PubChem CID989339
Molecular FormulaC20H22N2O3S
Molecular Weight370.47 g/mol
Exact Mass370.14
IUPAC Name2-(4-methylphenyl)sulfanyl-N-[2-(morpholine-4-carbonyl)phenyl]acetamide
SMILESCc1ccc(SCC(=O)Nc2ccccc2C(=O)N2CCOCC2)cc1
InChIInChI=1S/C20H22N2O3S/c1-15-6-8-16(9-7-15)26-14-19(23)21-18-5-3-2-4-17(18)20(24)22-10-12-25-13-11-22/h2-9H,10-14H2,1H3,(H,21,23)
InChIKeyXNXFREGQLVLAHC-UHFFFAOYSA-N
XLogP3.20
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.47
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(4-methylphenyl)sulfanyl-N-[2-(morpholine-4-carbonyl)phenyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)sulfanyl-N-[2-(morpholine-4-carbonyl)phenyl]acetamide?
The IUPAC name of 2-(4-methylphenyl)sulfanyl-N-[2-(morpholine-4-carbonyl)phenyl]acetamide (CID 989339) is 2-(4-methylphenyl)sulfanyl-N-[2-(morpholine-4-carbonyl)phenyl]acetamide.
What is the SMILES notation for 2-(4-methylphenyl)sulfanyl-N-[2-(morpholine-4-carbonyl)phenyl]acetamide?
The canonical SMILES for 2-(4-methylphenyl)sulfanyl-N-[2-(morpholine-4-carbonyl)phenyl]acetamide is Cc1ccc(SCC(=O)Nc2ccccc2C(=O)N2CCOCC2)cc1.
What is the InChIKey of 2-(4-methylphenyl)sulfanyl-N-[2-(morpholine-4-carbonyl)phenyl]acetamide?
The InChIKey is XNXFREGQLVLAHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3S/c1-15-6-8-16(9-7-15)26-14-19(23)21-18-5-3-2-4-17(18)20(24)22-10-12-25-13-11-22/h2-9H,10-14H2,1H3,(H,21,23).
What are the key properties of 2-(4-methylphenyl)sulfanyl-N-[2-(morpholine-4-carbonyl)phenyl]acetamide?
2-(4-methylphenyl)sulfanyl-N-[2-(morpholine-4-carbonyl)phenyl]acetamide has a molecular weight of 370.47 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)sulfanyl-N-[2-(morpholine-4-carbonyl)phenyl]acetamide is sourced from PubChem (CID 989339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).