N-[4-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanylphenyl]-4-methylbenzenesulfonamide

C22H21NO4S2 — CID 22778694

IUPACN-[4-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanylphenyl]-4-methylbenzenesulfonamide
SMILESCOc1ccc(C(=O)CSc2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2)cc1
InChIInChI=1S/C22H21NO4S2/c1-16-3-13-21(14-4-16)29(25,26)23-18-7-11-20(12-8-18)28-15-22(24)17-5-9-19(27-2)10-6-17/h3-14,23H,15H2,1-2H3
InChIKeyLYISMIJGQJRBKI-UHFFFAOYSA-N
MW427.55 g/mol
LogP4.78
Rot. Bonds8

About N-[4-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanylphenyl]-4-methylbenzenesulfonamide

N-[4-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanylphenyl]-4-methylbenzenesulfonamide (PubChem CID 22778694) has the molecular formula C22H21NO4S2 and a molecular weight of 427.55 g/mol. Its IUPAC name is N-[4-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanylphenyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[4-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanylphenyl]-4-methylbenzenesulfonamide
PubChem CID22778694
Molecular FormulaC22H21NO4S2
Molecular Weight427.55 g/mol
Exact Mass427.09
IUPAC NameN-[4-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanylphenyl]-4-methylbenzenesulfonamide
SMILESCOc1ccc(C(=O)CSc2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2)cc1
InChIInChI=1S/C22H21NO4S2/c1-16-3-13-21(14-4-16)29(25,26)23-18-7-11-20(12-8-18)28-15-22(24)17-5-9-19(27-2)10-6-17/h3-14,23H,15H2,1-2H3
InChIKeyLYISMIJGQJRBKI-UHFFFAOYSA-N
XLogP4.78
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.55
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[4-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanylphenyl]-4-methylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-[(4-methylphenyl)sulfamoyl]phenyl]-2-(4-methylphenyl)sulfanylacetamide
CID 94841476
N-(4-phenacylsulfanylphenyl)benzenesulfonamide
CID 19629665
N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfanylacetamide
CID 21167941
N-(4-ethoxyphenyl)-2-[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfanylacetamide
CID 23094970
N-[(1S)-1-(4-methoxyphenyl)ethyl]-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 92681084
(2S)-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]-2-(4-methylphenyl)sulfanylpropanamide
CID 41326927
N-(4-butoxyphenyl)-2-[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfanylacetamide
CID 23098400
2-[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfanyl-N-phenylacetamide
CID 22776004
N-(3,5-dimethylphenyl)-2-[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfanylacetamide
CID 22781287
4-[(4-methoxyphenyl)sulfamoyl]-N-methyl-N-[2-(4-methylphenoxy)ethyl]benzamide
CID 24517356
N-(4-fluorophenyl)-2-[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfanylacetamide
CID 22779275
4-methoxy-N-(4-phenacylsulfanylphenyl)benzamide
CID 19629302

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanylphenyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[4-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanylphenyl]-4-methylbenzenesulfonamide (CID 22778694) is N-[4-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanylphenyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[4-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanylphenyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[4-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanylphenyl]-4-methylbenzenesulfonamide is COc1ccc(C(=O)CSc2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2)cc1.
What is the InChIKey of N-[4-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanylphenyl]-4-methylbenzenesulfonamide?
The InChIKey is LYISMIJGQJRBKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NO4S2/c1-16-3-13-21(14-4-16)29(25,26)23-18-7-11-20(12-8-18)28-15-22(24)17-5-9-19(27-2)10-6-17/h3-14,23H,15H2,1-2H3.
What are the key properties of N-[4-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanylphenyl]-4-methylbenzenesulfonamide?
N-[4-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanylphenyl]-4-methylbenzenesulfonamide has a molecular weight of 427.55 g/mol, XLogP of 4.78, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanylphenyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 22778694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).