2-[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfanyl-N-phenylacetamide

C21H20N2O3S2 — CID 22776004

IUPAC2-[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfanyl-N-phenylacetamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(SCC(=O)Nc3ccccc3)cc2)cc1
InChIInChI=1S/C21H20N2O3S2/c1-16-7-13-20(14-8-16)28(25,26)23-18-9-11-19(12-10-18)27-15-21(24)22-17-5-3-2-4-6-17/h2-14,23H,15H2,1H3,(H,22,24)
InChIKeyZWUIDHAOWPOCOX-UHFFFAOYSA-N
MW412.54 g/mol
LogP4.53
Rot. Bonds7

About 2-[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfanyl-N-phenylacetamide

2-[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfanyl-N-phenylacetamide (PubChem CID 22776004) has the molecular formula C21H20N2O3S2 and a molecular weight of 412.54 g/mol. Its IUPAC name is 2-[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfanyl-N-phenylacetamide.

Molecular Properties

Compound Name2-[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfanyl-N-phenylacetamide
PubChem CID22776004
Molecular FormulaC21H20N2O3S2
Molecular Weight412.54 g/mol
Exact Mass412.09
IUPAC Name2-[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfanyl-N-phenylacetamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(SCC(=O)Nc3ccccc3)cc2)cc1
InChIInChI=1S/C21H20N2O3S2/c1-16-7-13-20(14-8-16)28(25,26)23-18-9-11-19(12-10-18)27-15-21(24)22-17-5-3-2-4-6-17/h2-14,23H,15H2,1H3,(H,22,24)
InChIKeyZWUIDHAOWPOCOX-UHFFFAOYSA-N
XLogP4.53
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.54
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[(4-methylphenyl)sulfamoyl]phenyl]-2-(4-methylphenyl)sulfanylacetamide
CID 94841476
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-(2-chlorophenyl)-2-[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfanylacetamide
CID 22782055
N-(4-ethoxyphenyl)-2-[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfanylacetamide
CID 23094970
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-butoxyphenyl)-2-[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfanylacetamide
CID 23098400
N-(4-anilinophenyl)-2-(4-methylphenyl)sulfanylacetamide
CID 1244966
N-(4-ethylsulfonylphenyl)-2-(4-methylphenyl)sulfanylacetamide
CID 39862572
N-[4-(acetylsulfamoyl)phenyl]-2-phenylsulfanylacetamide
CID 1321236
2-[4-(phenylsulfamoyl)phenyl]sulfanylacetamide
CID 5296763

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfanyl-N-phenylacetamide?
The IUPAC name of 2-[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfanyl-N-phenylacetamide (CID 22776004) is 2-[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfanyl-N-phenylacetamide.
What is the SMILES notation for 2-[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfanyl-N-phenylacetamide?
The canonical SMILES for 2-[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfanyl-N-phenylacetamide is Cc1ccc(S(=O)(=O)Nc2ccc(SCC(=O)Nc3ccccc3)cc2)cc1.
What is the InChIKey of 2-[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfanyl-N-phenylacetamide?
The InChIKey is ZWUIDHAOWPOCOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O3S2/c1-16-7-13-20(14-8-16)28(25,26)23-18-9-11-19(12-10-18)27-15-21(24)22-17-5-3-2-4-6-17/h2-14,23H,15H2,1H3,(H,22,24).
What are the key properties of 2-[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfanyl-N-phenylacetamide?
2-[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfanyl-N-phenylacetamide has a molecular weight of 412.54 g/mol, XLogP of 4.53, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfanyl-N-phenylacetamide is sourced from PubChem (CID 22776004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).