N-(4-morpholin-4-ylsulfonylphenyl)-3-phenylsulfanylpropanamide

C19H22N2O4S2 — CID 2951066

IUPACN-(4-morpholin-4-ylsulfonylphenyl)-3-phenylsulfanylpropanamide
SMILESO=C(CCSc1ccccc1)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C19H22N2O4S2/c22-19(10-15-26-17-4-2-1-3-5-17)20-16-6-8-18(9-7-16)27(23,24)21-11-13-25-14-12-21/h1-9H,10-15H2,(H,20,22)
InChIKeyVYJPIWSPDSDDIA-UHFFFAOYSA-N
MW406.53 g/mol
LogP2.83
Rot. Bonds7

About N-(4-morpholin-4-ylsulfonylphenyl)-3-phenylsulfanylpropanamide

N-(4-morpholin-4-ylsulfonylphenyl)-3-phenylsulfanylpropanamide (PubChem CID 2951066) has the molecular formula C19H22N2O4S2 and a molecular weight of 406.53 g/mol. Its IUPAC name is N-(4-morpholin-4-ylsulfonylphenyl)-3-phenylsulfanylpropanamide.

Molecular Properties

Compound NameN-(4-morpholin-4-ylsulfonylphenyl)-3-phenylsulfanylpropanamide
PubChem CID2951066
Molecular FormulaC19H22N2O4S2
Molecular Weight406.53 g/mol
Exact Mass406.10
IUPAC NameN-(4-morpholin-4-ylsulfonylphenyl)-3-phenylsulfanylpropanamide
SMILESO=C(CCSc1ccccc1)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C19H22N2O4S2/c22-19(10-15-26-17-4-2-1-3-5-17)20-16-6-8-18(9-7-16)27(23,24)21-11-13-25-14-12-21/h1-9H,10-15H2,(H,20,22)
InChIKeyVYJPIWSPDSDDIA-UHFFFAOYSA-N
XLogP2.83
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.53
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-morpholin-4-ylsulfonylphenyl)-3-phenylsulfanylpropanamide?
The IUPAC name of N-(4-morpholin-4-ylsulfonylphenyl)-3-phenylsulfanylpropanamide (CID 2951066) is N-(4-morpholin-4-ylsulfonylphenyl)-3-phenylsulfanylpropanamide.
What is the SMILES notation for N-(4-morpholin-4-ylsulfonylphenyl)-3-phenylsulfanylpropanamide?
The canonical SMILES for N-(4-morpholin-4-ylsulfonylphenyl)-3-phenylsulfanylpropanamide is O=C(CCSc1ccccc1)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1.
What is the InChIKey of N-(4-morpholin-4-ylsulfonylphenyl)-3-phenylsulfanylpropanamide?
The InChIKey is VYJPIWSPDSDDIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4S2/c22-19(10-15-26-17-4-2-1-3-5-17)20-16-6-8-18(9-7-16)27(23,24)21-11-13-25-14-12-21/h1-9H,10-15H2,(H,20,22).
What are the key properties of N-(4-morpholin-4-ylsulfonylphenyl)-3-phenylsulfanylpropanamide?
N-(4-morpholin-4-ylsulfonylphenyl)-3-phenylsulfanylpropanamide has a molecular weight of 406.53 g/mol, XLogP of 2.83, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-morpholin-4-ylsulfonylphenyl)-3-phenylsulfanylpropanamide is sourced from PubChem (CID 2951066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).