N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-phenylsulfanylacetamide

C19H22N2O4S2 — CID 9292360

IUPACN-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-phenylsulfanylacetamide
SMILESCc1ccc(NC(=O)CSc2ccccc2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C19H22N2O4S2/c1-15-7-8-16(20-19(22)14-26-17-5-3-2-4-6-17)13-18(15)27(23,24)21-9-11-25-12-10-21/h2-8,13H,9-12,14H2,1H3,(H,20,22)
InChIKeyVFPWONXOPYOYLG-UHFFFAOYSA-N
MW406.53 g/mol
LogP2.75
Rot. Bonds6

About N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-phenylsulfanylacetamide

N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-phenylsulfanylacetamide (PubChem CID 9292360) has the molecular formula C19H22N2O4S2 and a molecular weight of 406.53 g/mol. Its IUPAC name is N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-phenylsulfanylacetamide.

Molecular Properties

Compound NameN-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-phenylsulfanylacetamide
PubChem CID9292360
Molecular FormulaC19H22N2O4S2
Molecular Weight406.53 g/mol
Exact Mass406.10
IUPAC NameN-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-phenylsulfanylacetamide
SMILESCc1ccc(NC(=O)CSc2ccccc2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C19H22N2O4S2/c1-15-7-8-16(20-19(22)14-26-17-5-3-2-4-6-17)13-18(15)27(23,24)21-9-11-25-12-10-21/h2-8,13H,9-12,14H2,1H3,(H,20,22)
InChIKeyVFPWONXOPYOYLG-UHFFFAOYSA-N
XLogP2.75
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 ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-phenylsulfanylacetamide 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 N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-phenylsulfanylacetamide?
The IUPAC name of N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-phenylsulfanylacetamide (CID 9292360) is N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-phenylsulfanylacetamide.
What is the SMILES notation for N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-phenylsulfanylacetamide?
The canonical SMILES for N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-phenylsulfanylacetamide is Cc1ccc(NC(=O)CSc2ccccc2)cc1S(=O)(=O)N1CCOCC1.
What is the InChIKey of N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-phenylsulfanylacetamide?
The InChIKey is VFPWONXOPYOYLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4S2/c1-15-7-8-16(20-19(22)14-26-17-5-3-2-4-6-17)13-18(15)27(23,24)21-9-11-25-12-10-21/h2-8,13H,9-12,14H2,1H3,(H,20,22).
What are the key properties of N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-phenylsulfanylacetamide?
N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-phenylsulfanylacetamide has a molecular weight of 406.53 g/mol, XLogP of 2.75, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-phenylsulfanylacetamide is sourced from PubChem (CID 9292360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).