N-(3,5-dimethylphenyl)-2-[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfanylacetamide

C23H24N2O3S2 — CID 22781287

IUPACN-(3,5-dimethylphenyl)-2-[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfanylacetamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(SCC(=O)Nc3cc(C)cc(C)c3)cc2)cc1
InChIInChI=1S/C23H24N2O3S2/c1-16-4-10-22(11-5-16)30(27,28)25-19-6-8-21(9-7-19)29-15-23(26)24-20-13-17(2)12-18(3)14-20/h4-14,25H,15H2,1-3H3,(H,24,26)
InChIKeyBIWUAVYLRWCFDX-UHFFFAOYSA-N
MW440.59 g/mol
LogP5.14
Rot. Bonds7

About N-(3,5-dimethylphenyl)-2-[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfanylacetamide

N-(3,5-dimethylphenyl)-2-[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfanylacetamide (PubChem CID 22781287) has the molecular formula C23H24N2O3S2 and a molecular weight of 440.59 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-2-[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfanylacetamide.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-2-[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfanylacetamide
PubChem CID22781287
Molecular FormulaC23H24N2O3S2
Molecular Weight440.59 g/mol
Exact Mass440.12
IUPAC NameN-(3,5-dimethylphenyl)-2-[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfanylacetamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(SCC(=O)Nc3cc(C)cc(C)c3)cc2)cc1
InChIInChI=1S/C23H24N2O3S2/c1-16-4-10-22(11-5-16)30(27,28)25-19-6-8-21(9-7-19)29-15-23(26)24-20-13-17(2)12-18(3)14-20/h4-14,25H,15H2,1-3H3,(H,24,26)
InChIKeyBIWUAVYLRWCFDX-UHFFFAOYSA-N
XLogP5.14
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.59
LogP ≤ 55.14
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
2-[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfanyl-N-phenylacetamide
CID 22776004
N-(4-fluorophenyl)-2-[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfanylacetamide
CID 22779275
N-(2-chlorophenyl)-2-[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfanylacetamide
CID 22782055
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-[2-chloro-5-(trifluoromethyl)phenyl]-2-[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfanylacetamide
CID 23101443
N-(4-ethylsulfonylphenyl)-2-(4-methylphenyl)sulfanylacetamide
CID 39862572
2-(4-methylphenyl)sulfanyl-N-[4-(pyridin-2-ylsulfamoyl)phenyl]acetamide
CID 19204350
2-(4-chlorophenyl)sulfanyl-N-(3,5-dimethylphenyl)acetamide
CID 3936827
2-(3,4-dimethoxyphenyl)sulfanyl-N-[4-[(3-methylphenyl)sulfamoyl]phenyl]acetamide
CID 30390096
4-[[2-[4-(benzenesulfonamido)phenyl]sulfanylacetyl]amino]benzoic acid
CID 22781476

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-2-[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfanylacetamide?
The IUPAC name of N-(3,5-dimethylphenyl)-2-[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfanylacetamide (CID 22781287) is N-(3,5-dimethylphenyl)-2-[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfanylacetamide.
What is the SMILES notation for N-(3,5-dimethylphenyl)-2-[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfanylacetamide?
The canonical SMILES for N-(3,5-dimethylphenyl)-2-[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfanylacetamide is Cc1ccc(S(=O)(=O)Nc2ccc(SCC(=O)Nc3cc(C)cc(C)c3)cc2)cc1.
What is the InChIKey of N-(3,5-dimethylphenyl)-2-[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfanylacetamide?
The InChIKey is BIWUAVYLRWCFDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O3S2/c1-16-4-10-22(11-5-16)30(27,28)25-19-6-8-21(9-7-19)29-15-23(26)24-20-13-17(2)12-18(3)14-20/h4-14,25H,15H2,1-3H3,(H,24,26).
What are the key properties of N-(3,5-dimethylphenyl)-2-[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfanylacetamide?
N-(3,5-dimethylphenyl)-2-[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfanylacetamide has a molecular weight of 440.59 g/mol, XLogP of 5.14, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-2-[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfanylacetamide is sourced from PubChem (CID 22781287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).