3-(4-methylphenyl)sulfanyl-N-[2-(morpholine-4-carbonyl)phenyl]propanamide

C21H24N2O3S — CID 989330

IUPAC3-(4-methylphenyl)sulfanyl-N-[2-(morpholine-4-carbonyl)phenyl]propanamide
SMILESCc1ccc(SCCC(=O)Nc2ccccc2C(=O)N2CCOCC2)cc1
InChIInChI=1S/C21H24N2O3S/c1-16-6-8-17(9-7-16)27-15-10-20(24)22-19-5-3-2-4-18(19)21(25)23-11-13-26-14-12-23/h2-9H,10-15H2,1H3,(H,22,24)
InChIKeyGTSXZTQATWYFOI-UHFFFAOYSA-N
MW384.50 g/mol
LogP3.59
Rot. Bonds6

About 3-(4-methylphenyl)sulfanyl-N-[2-(morpholine-4-carbonyl)phenyl]propanamide

3-(4-methylphenyl)sulfanyl-N-[2-(morpholine-4-carbonyl)phenyl]propanamide (PubChem CID 989330) has the molecular formula C21H24N2O3S and a molecular weight of 384.50 g/mol. Its IUPAC name is 3-(4-methylphenyl)sulfanyl-N-[2-(morpholine-4-carbonyl)phenyl]propanamide.

Molecular Properties

Compound Name3-(4-methylphenyl)sulfanyl-N-[2-(morpholine-4-carbonyl)phenyl]propanamide
PubChem CID989330
Molecular FormulaC21H24N2O3S
Molecular Weight384.50 g/mol
Exact Mass384.15
IUPAC Name3-(4-methylphenyl)sulfanyl-N-[2-(morpholine-4-carbonyl)phenyl]propanamide
SMILESCc1ccc(SCCC(=O)Nc2ccccc2C(=O)N2CCOCC2)cc1
InChIInChI=1S/C21H24N2O3S/c1-16-6-8-17(9-7-16)27-15-10-20(24)22-19-5-3-2-4-18(19)21(25)23-11-13-26-14-12-23/h2-9H,10-15H2,1H3,(H,22,24)
InChIKeyGTSXZTQATWYFOI-UHFFFAOYSA-N
XLogP3.59
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.50
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)sulfanyl-N-[2-(morpholine-4-carbonyl)phenyl]propanamide?
The IUPAC name of 3-(4-methylphenyl)sulfanyl-N-[2-(morpholine-4-carbonyl)phenyl]propanamide (CID 989330) is 3-(4-methylphenyl)sulfanyl-N-[2-(morpholine-4-carbonyl)phenyl]propanamide.
What is the SMILES notation for 3-(4-methylphenyl)sulfanyl-N-[2-(morpholine-4-carbonyl)phenyl]propanamide?
The canonical SMILES for 3-(4-methylphenyl)sulfanyl-N-[2-(morpholine-4-carbonyl)phenyl]propanamide is Cc1ccc(SCCC(=O)Nc2ccccc2C(=O)N2CCOCC2)cc1.
What is the InChIKey of 3-(4-methylphenyl)sulfanyl-N-[2-(morpholine-4-carbonyl)phenyl]propanamide?
The InChIKey is GTSXZTQATWYFOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3S/c1-16-6-8-17(9-7-16)27-15-10-20(24)22-19-5-3-2-4-18(19)21(25)23-11-13-26-14-12-23/h2-9H,10-15H2,1H3,(H,22,24).
What are the key properties of 3-(4-methylphenyl)sulfanyl-N-[2-(morpholine-4-carbonyl)phenyl]propanamide?
3-(4-methylphenyl)sulfanyl-N-[2-(morpholine-4-carbonyl)phenyl]propanamide has a molecular weight of 384.50 g/mol, XLogP of 3.59, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)sulfanyl-N-[2-(morpholine-4-carbonyl)phenyl]propanamide is sourced from PubChem (CID 989330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).