2-[4-(benzenesulfonamido)phenyl]sulfanyl-N-(2,4-dimethylphenyl)-2-phenylacetamide

C28H26N2O3S2 — CID 23100322

IUPAC2-[4-(benzenesulfonamido)phenyl]sulfanyl-N-(2,4-dimethylphenyl)-2-phenylacetamide
SMILESCc1ccc(NC(=O)C(Sc2ccc(NS(=O)(=O)c3ccccc3)cc2)c2ccccc2)c(C)c1
InChIInChI=1S/C28H26N2O3S2/c1-20-13-18-26(21(2)19-20)29-28(31)27(22-9-5-3-6-10-22)34-24-16-14-23(15-17-24)30-35(32,33)25-11-7-4-8-12-25/h3-19,27,30H,1-2H3,(H,29,31)
InChIKeyALUIYFIIUCZYKR-UHFFFAOYSA-N
MW502.66 g/mol
LogP6.58
Rot. Bonds8

About 2-[4-(benzenesulfonamido)phenyl]sulfanyl-N-(2,4-dimethylphenyl)-2-phenylacetamide

2-[4-(benzenesulfonamido)phenyl]sulfanyl-N-(2,4-dimethylphenyl)-2-phenylacetamide (PubChem CID 23100322) has the molecular formula C28H26N2O3S2 and a molecular weight of 502.66 g/mol. Its IUPAC name is 2-[4-(benzenesulfonamido)phenyl]sulfanyl-N-(2,4-dimethylphenyl)-2-phenylacetamide.

Molecular Properties

Compound Name2-[4-(benzenesulfonamido)phenyl]sulfanyl-N-(2,4-dimethylphenyl)-2-phenylacetamide
PubChem CID23100322
Molecular FormulaC28H26N2O3S2
Molecular Weight502.66 g/mol
Exact Mass502.14
IUPAC Name2-[4-(benzenesulfonamido)phenyl]sulfanyl-N-(2,4-dimethylphenyl)-2-phenylacetamide
SMILESCc1ccc(NC(=O)C(Sc2ccc(NS(=O)(=O)c3ccccc3)cc2)c2ccccc2)c(C)c1
InChIInChI=1S/C28H26N2O3S2/c1-20-13-18-26(21(2)19-20)29-28(31)27(22-9-5-3-6-10-22)34-24-16-14-23(15-17-24)30-35(32,33)25-11-7-4-8-12-25/h3-19,27,30H,1-2H3,(H,29,31)
InChIKeyALUIYFIIUCZYKR-UHFFFAOYSA-N
XLogP6.58
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.66
LogP ≤ 56.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-acetamidophenyl)sulfanyl-N-(2,4-dimethylphenyl)-2-phenylacetamide
CID 19631343
N-(2,4-dimethylphenyl)-2-phenyl-2-[4-(phenylcarbamoylamino)phenyl]sulfanylacetamide
CID 19712544
N-[4-[(4-methylphenyl)sulfamoyl]phenyl]-2-phenyl-2-phenylsulfanylacetamide
CID 2953057
N-(3-chloro-4-methylphenyl)-2-[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfanyl-2-phenylacetamide
CID 21168789
N-(2,4-dimethoxyphenyl)-2-[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfanyl-2-phenylacetamide
CID 21169527
2-[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfanyl-N-naphthalen-2-yl-2-phenylacetamide
CID 21168898
2-[4-(benzenesulfonamido)phenyl]sulfanyl-N-(2-chlorophenyl)-2-phenylacetamide
CID 23100906
2-[4-(benzenesulfonamido)phenyl]sulfanyl-N-(3-chloro-2-methylphenyl)-2-phenylacetamide
CID 21167685
2-[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfanyl-2-phenyl-N-pyridin-4-ylacetamide
CID 23098993
2-[4-(benzenesulfonamido)phenyl]sulfanyl-N-(9,10-dioxoanthracen-1-yl)-2-phenylacetamide
CID 21171584
2-[4-(benzenesulfonamido)phenyl]sulfanyl-N-(4-bromophenyl)-2-phenylacetamide
CID 21169748
N-[4-[2-(2,4-dimethylanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]pentanamide
CID 22782001

Frequently Asked Questions

What is the IUPAC name of 2-[4-(benzenesulfonamido)phenyl]sulfanyl-N-(2,4-dimethylphenyl)-2-phenylacetamide?
The IUPAC name of 2-[4-(benzenesulfonamido)phenyl]sulfanyl-N-(2,4-dimethylphenyl)-2-phenylacetamide (CID 23100322) is 2-[4-(benzenesulfonamido)phenyl]sulfanyl-N-(2,4-dimethylphenyl)-2-phenylacetamide.
What is the SMILES notation for 2-[4-(benzenesulfonamido)phenyl]sulfanyl-N-(2,4-dimethylphenyl)-2-phenylacetamide?
The canonical SMILES for 2-[4-(benzenesulfonamido)phenyl]sulfanyl-N-(2,4-dimethylphenyl)-2-phenylacetamide is Cc1ccc(NC(=O)C(Sc2ccc(NS(=O)(=O)c3ccccc3)cc2)c2ccccc2)c(C)c1.
What is the InChIKey of 2-[4-(benzenesulfonamido)phenyl]sulfanyl-N-(2,4-dimethylphenyl)-2-phenylacetamide?
The InChIKey is ALUIYFIIUCZYKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N2O3S2/c1-20-13-18-26(21(2)19-20)29-28(31)27(22-9-5-3-6-10-22)34-24-16-14-23(15-17-24)30-35(32,33)25-11-7-4-8-12-25/h3-19,27,30H,1-2H3,(H,29,31).
What are the key properties of 2-[4-(benzenesulfonamido)phenyl]sulfanyl-N-(2,4-dimethylphenyl)-2-phenylacetamide?
2-[4-(benzenesulfonamido)phenyl]sulfanyl-N-(2,4-dimethylphenyl)-2-phenylacetamide has a molecular weight of 502.66 g/mol, XLogP of 6.58, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(benzenesulfonamido)phenyl]sulfanyl-N-(2,4-dimethylphenyl)-2-phenylacetamide is sourced from PubChem (CID 23100322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).