N-[4-[(4-methylphenyl)sulfamoyl]phenyl]-2-(4-methylphenyl)sulfanylacetamide

C22H22N2O3S2 — CID 94841476

IUPACN-[4-[(4-methylphenyl)sulfamoyl]phenyl]-2-(4-methylphenyl)sulfanylacetamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(NC(=O)CSc3ccc(C)cc3)cc2)cc1
InChIInChI=1S/C22H22N2O3S2/c1-16-3-7-19(8-4-16)24-29(26,27)21-13-9-18(10-14-21)23-22(25)15-28-20-11-5-17(2)6-12-20/h3-14,24H,15H2,1-2H3,(H,23,25)
InChIKeyDSSAWQPFSNQRHZ-UHFFFAOYSA-N
MW426.56 g/mol
LogP4.84
Rot. Bonds7

About N-[4-[(4-methylphenyl)sulfamoyl]phenyl]-2-(4-methylphenyl)sulfanylacetamide

N-[4-[(4-methylphenyl)sulfamoyl]phenyl]-2-(4-methylphenyl)sulfanylacetamide (PubChem CID 94841476) has the molecular formula C22H22N2O3S2 and a molecular weight of 426.56 g/mol. Its IUPAC name is N-[4-[(4-methylphenyl)sulfamoyl]phenyl]-2-(4-methylphenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-[4-[(4-methylphenyl)sulfamoyl]phenyl]-2-(4-methylphenyl)sulfanylacetamide
PubChem CID94841476
Molecular FormulaC22H22N2O3S2
Molecular Weight426.56 g/mol
Exact Mass426.11
IUPAC NameN-[4-[(4-methylphenyl)sulfamoyl]phenyl]-2-(4-methylphenyl)sulfanylacetamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(NC(=O)CSc3ccc(C)cc3)cc2)cc1
InChIInChI=1S/C22H22N2O3S2/c1-16-3-7-19(8-4-16)24-29(26,27)21-13-9-18(10-14-21)23-22(25)15-28-20-11-5-17(2)6-12-20/h3-14,24H,15H2,1-2H3,(H,23,25)
InChIKeyDSSAWQPFSNQRHZ-UHFFFAOYSA-N
XLogP4.84
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.56
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfanyl-N-phenylacetamide
CID 22776004
N-(4-fluorophenyl)-2-[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfanylacetamide
CID 22779275
N-(3,5-dimethylphenyl)-2-[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfanylacetamide
CID 22781287
N-(4-ethoxyphenyl)-2-[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfanylacetamide
CID 23094970
N-(4-butoxyphenyl)-2-[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfanylacetamide
CID 23098400
N-(4-ethylsulfonylphenyl)-2-(4-methylphenyl)sulfanylacetamide
CID 39862572
N-(2-chlorophenyl)-2-[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfanylacetamide
CID 22782055
2-(4-methylphenyl)sulfanyl-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide
CID 19204350
4-[[2-[4-(benzenesulfonamido)phenyl]sulfanylacetyl]amino]benzoic acid
CID 22781476
N-[4-[(4-methylphenyl)sulfonylamino]phenyl]butanamide
CID 4581682
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfanylacetamide
CID 23101443
2-(3-methylbutylsulfanyl)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]acetamide
CID 60575698

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-methylphenyl)sulfamoyl]phenyl]-2-(4-methylphenyl)sulfanylacetamide?
The IUPAC name of N-[4-[(4-methylphenyl)sulfamoyl]phenyl]-2-(4-methylphenyl)sulfanylacetamide (CID 94841476) is N-[4-[(4-methylphenyl)sulfamoyl]phenyl]-2-(4-methylphenyl)sulfanylacetamide.
What is the SMILES notation for N-[4-[(4-methylphenyl)sulfamoyl]phenyl]-2-(4-methylphenyl)sulfanylacetamide?
The canonical SMILES for N-[4-[(4-methylphenyl)sulfamoyl]phenyl]-2-(4-methylphenyl)sulfanylacetamide is Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)CSc3ccc(C)cc3)cc2)cc1.
What is the InChIKey of N-[4-[(4-methylphenyl)sulfamoyl]phenyl]-2-(4-methylphenyl)sulfanylacetamide?
The InChIKey is DSSAWQPFSNQRHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O3S2/c1-16-3-7-19(8-4-16)24-29(26,27)21-13-9-18(10-14-21)23-22(25)15-28-20-11-5-17(2)6-12-20/h3-14,24H,15H2,1-2H3,(H,23,25).
What are the key properties of N-[4-[(4-methylphenyl)sulfamoyl]phenyl]-2-(4-methylphenyl)sulfanylacetamide?
N-[4-[(4-methylphenyl)sulfamoyl]phenyl]-2-(4-methylphenyl)sulfanylacetamide has a molecular weight of 426.56 g/mol, XLogP of 4.84, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-methylphenyl)sulfamoyl]phenyl]-2-(4-methylphenyl)sulfanylacetamide is sourced from PubChem (CID 94841476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).