N-[2-(morpholine-4-carbonyl)phenyl]-2-phenylsulfanylpropanamide

C20H22N2O3S — CID 2954597

IUPACN-[2-(morpholine-4-carbonyl)phenyl]-2-phenylsulfanylpropanamide
SMILESCC(Sc1ccccc1)C(=O)Nc1ccccc1C(=O)N1CCOCC1
InChIInChI=1S/C20H22N2O3S/c1-15(26-16-7-3-2-4-8-16)19(23)21-18-10-6-5-9-17(18)20(24)22-11-13-25-14-12-22/h2-10,15H,11-14H2,1H3,(H,21,23)
InChIKeyDJZIMAGUGCDEFR-UHFFFAOYSA-N
MW370.47 g/mol
LogP3.28
Rot. Bonds5

About N-[2-(morpholine-4-carbonyl)phenyl]-2-phenylsulfanylpropanamide

N-[2-(morpholine-4-carbonyl)phenyl]-2-phenylsulfanylpropanamide (PubChem CID 2954597) has the molecular formula C20H22N2O3S and a molecular weight of 370.47 g/mol. Its IUPAC name is N-[2-(morpholine-4-carbonyl)phenyl]-2-phenylsulfanylpropanamide.

Molecular Properties

Compound NameN-[2-(morpholine-4-carbonyl)phenyl]-2-phenylsulfanylpropanamide
PubChem CID2954597
Molecular FormulaC20H22N2O3S
Molecular Weight370.47 g/mol
Exact Mass370.14
IUPAC NameN-[2-(morpholine-4-carbonyl)phenyl]-2-phenylsulfanylpropanamide
SMILESCC(Sc1ccccc1)C(=O)Nc1ccccc1C(=O)N1CCOCC1
InChIInChI=1S/C20H22N2O3S/c1-15(26-16-7-3-2-4-8-16)19(23)21-18-10-6-5-9-17(18)20(24)22-11-13-25-14-12-22/h2-10,15H,11-14H2,1H3,(H,21,23)
InChIKeyDJZIMAGUGCDEFR-UHFFFAOYSA-N
XLogP3.28
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 ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(morpholine-4-carbonyl)phenyl]-2-phenylsulfanylpropanamide?
The IUPAC name of N-[2-(morpholine-4-carbonyl)phenyl]-2-phenylsulfanylpropanamide (CID 2954597) is N-[2-(morpholine-4-carbonyl)phenyl]-2-phenylsulfanylpropanamide.
What is the SMILES notation for N-[2-(morpholine-4-carbonyl)phenyl]-2-phenylsulfanylpropanamide?
The canonical SMILES for N-[2-(morpholine-4-carbonyl)phenyl]-2-phenylsulfanylpropanamide is CC(Sc1ccccc1)C(=O)Nc1ccccc1C(=O)N1CCOCC1.
What is the InChIKey of N-[2-(morpholine-4-carbonyl)phenyl]-2-phenylsulfanylpropanamide?
The InChIKey is DJZIMAGUGCDEFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3S/c1-15(26-16-7-3-2-4-8-16)19(23)21-18-10-6-5-9-17(18)20(24)22-11-13-25-14-12-22/h2-10,15H,11-14H2,1H3,(H,21,23).
What are the key properties of N-[2-(morpholine-4-carbonyl)phenyl]-2-phenylsulfanylpropanamide?
N-[2-(morpholine-4-carbonyl)phenyl]-2-phenylsulfanylpropanamide has a molecular weight of 370.47 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(morpholine-4-carbonyl)phenyl]-2-phenylsulfanylpropanamide is sourced from PubChem (CID 2954597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).