N-(4-morpholin-4-ylsulfonylphenyl)-2-phenylsulfanylpropanamide

C19H22N2O4S2 — CID 2950592

IUPACN-(4-morpholin-4-ylsulfonylphenyl)-2-phenylsulfanylpropanamide
SMILESCC(Sc1ccccc1)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C19H22N2O4S2/c1-15(26-17-5-3-2-4-6-17)19(22)20-16-7-9-18(10-8-16)27(23,24)21-11-13-25-14-12-21/h2-10,15H,11-14H2,1H3,(H,20,22)
InChIKeyRCKVALIZFQTEJH-UHFFFAOYSA-N
MW406.53 g/mol
LogP2.83
Rot. Bonds6

About N-(4-morpholin-4-ylsulfonylphenyl)-2-phenylsulfanylpropanamide

N-(4-morpholin-4-ylsulfonylphenyl)-2-phenylsulfanylpropanamide (PubChem CID 2950592) has the molecular formula C19H22N2O4S2 and a molecular weight of 406.53 g/mol. Its IUPAC name is N-(4-morpholin-4-ylsulfonylphenyl)-2-phenylsulfanylpropanamide.

Molecular Properties

Compound NameN-(4-morpholin-4-ylsulfonylphenyl)-2-phenylsulfanylpropanamide
PubChem CID2950592
Molecular FormulaC19H22N2O4S2
Molecular Weight406.53 g/mol
Exact Mass406.10
IUPAC NameN-(4-morpholin-4-ylsulfonylphenyl)-2-phenylsulfanylpropanamide
SMILESCC(Sc1ccccc1)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C19H22N2O4S2/c1-15(26-17-5-3-2-4-6-17)19(22)20-16-7-9-18(10-8-16)27(23,24)21-11-13-25-14-12-21/h2-10,15H,11-14H2,1H3,(H,20,22)
InChIKeyRCKVALIZFQTEJH-UHFFFAOYSA-N
XLogP2.83
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
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)-2-phenylsulfanylpropanamide?
The IUPAC name of N-(4-morpholin-4-ylsulfonylphenyl)-2-phenylsulfanylpropanamide (CID 2950592) is N-(4-morpholin-4-ylsulfonylphenyl)-2-phenylsulfanylpropanamide.
What is the SMILES notation for N-(4-morpholin-4-ylsulfonylphenyl)-2-phenylsulfanylpropanamide?
The canonical SMILES for N-(4-morpholin-4-ylsulfonylphenyl)-2-phenylsulfanylpropanamide is CC(Sc1ccccc1)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1.
What is the InChIKey of N-(4-morpholin-4-ylsulfonylphenyl)-2-phenylsulfanylpropanamide?
The InChIKey is RCKVALIZFQTEJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4S2/c1-15(26-17-5-3-2-4-6-17)19(22)20-16-7-9-18(10-8-16)27(23,24)21-11-13-25-14-12-21/h2-10,15H,11-14H2,1H3,(H,20,22).
What are the key properties of N-(4-morpholin-4-ylsulfonylphenyl)-2-phenylsulfanylpropanamide?
N-(4-morpholin-4-ylsulfonylphenyl)-2-phenylsulfanylpropanamide has a molecular weight of 406.53 g/mol, XLogP of 2.83, 6 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)-2-phenylsulfanylpropanamide is sourced from PubChem (CID 2950592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).