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

C26H23N3O3S2 — CID 23098993

IUPAC2-[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfanyl-2-phenyl-N-pyridin-4-ylacetamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(SC(C(=O)Nc3ccncc3)c3ccccc3)cc2)cc1
InChIInChI=1S/C26H23N3O3S2/c1-19-7-13-24(14-8-19)34(31,32)29-22-9-11-23(12-10-22)33-25(20-5-3-2-4-6-20)26(30)28-21-15-17-27-18-16-21/h2-18,25,29H,1H3,(H,27,28,30)
InChIKeyHIJHHDOVBLIKOA-UHFFFAOYSA-N
MW489.62 g/mol
LogP5.66
Rot. Bonds8

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

2-[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfanyl-2-phenyl-N-pyridin-4-ylacetamide (PubChem CID 23098993) has the molecular formula C26H23N3O3S2 and a molecular weight of 489.62 g/mol. Its IUPAC name is 2-[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfanyl-2-phenyl-N-pyridin-4-ylacetamide.

Molecular Properties

Compound Name2-[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfanyl-2-phenyl-N-pyridin-4-ylacetamide
PubChem CID23098993
Molecular FormulaC26H23N3O3S2
Molecular Weight489.62 g/mol
Exact Mass489.12
IUPAC Name2-[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfanyl-2-phenyl-N-pyridin-4-ylacetamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(SC(C(=O)Nc3ccncc3)c3ccccc3)cc2)cc1
InChIInChI=1S/C26H23N3O3S2/c1-19-7-13-24(14-8-19)34(31,32)29-22-9-11-23(12-10-22)33-25(20-5-3-2-4-6-20)26(30)28-21-15-17-27-18-16-21/h2-18,25,29H,1H3,(H,27,28,30)
InChIKeyHIJHHDOVBLIKOA-UHFFFAOYSA-N
XLogP5.66
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.62
LogP ≤ 55.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfanyl-2-phenyl-N-pyridin-4-ylacetamide 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-phenyl-2-phenylsulfanylacetamide
CID 2953057
2-[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfanyl-N-naphthalen-2-yl-2-phenylacetamide
CID 21168898
N-(3-chloro-4-methylphenyl)-2-[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfanyl-2-phenylacetamide
CID 21168789
4-methyl-N-[4-[2-oxo-1-phenyl-2-(pyridin-4-ylamino)ethyl]sulfanylphenyl]benzamide
CID 22782953
2-[4-(benzenesulfonamido)phenyl]sulfanyl-N-(4-bromophenyl)-2-phenylacetamide
CID 21169748
2-[4-(benzenesulfonamido)phenyl]sulfanyl-N-(2,4-dimethylphenyl)-2-phenylacetamide
CID 23100322
2-[4-(benzenesulfonamido)phenyl]sulfanyl-N-(4-phenoxyphenyl)-2-phenylacetamide
CID 21170426
(2R)-2-(4-acetamidophenyl)sulfanyl-N-(4-methylphenyl)-2-phenylacetamide
CID 7998096
2-[4-(benzenesulfonamido)phenyl]sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-phenylacetamide
CID 23099752
N-(2,4-dimethoxyphenyl)-2-[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfanyl-2-phenylacetamide
CID 21169527
4-methyl-N-[4-[2-(4-methylanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]benzamide
CID 23096211
2-[4-(benzenesulfonamido)phenyl]sulfanyl-N-(3-chloro-2-methylphenyl)-2-phenylacetamide
CID 21167685

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfanyl-2-phenyl-N-pyridin-4-ylacetamide?
The IUPAC name of 2-[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfanyl-2-phenyl-N-pyridin-4-ylacetamide (CID 23098993) is 2-[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfanyl-2-phenyl-N-pyridin-4-ylacetamide.
What is the SMILES notation for 2-[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfanyl-2-phenyl-N-pyridin-4-ylacetamide?
The canonical SMILES for 2-[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfanyl-2-phenyl-N-pyridin-4-ylacetamide is Cc1ccc(S(=O)(=O)Nc2ccc(SC(C(=O)Nc3ccncc3)c3ccccc3)cc2)cc1.
What is the InChIKey of 2-[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfanyl-2-phenyl-N-pyridin-4-ylacetamide?
The InChIKey is HIJHHDOVBLIKOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N3O3S2/c1-19-7-13-24(14-8-19)34(31,32)29-22-9-11-23(12-10-22)33-25(20-5-3-2-4-6-20)26(30)28-21-15-17-27-18-16-21/h2-18,25,29H,1H3,(H,27,28,30).
What are the key properties of 2-[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfanyl-2-phenyl-N-pyridin-4-ylacetamide?
2-[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfanyl-2-phenyl-N-pyridin-4-ylacetamide has a molecular weight of 489.62 g/mol, XLogP of 5.66, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfanyl-2-phenyl-N-pyridin-4-ylacetamide is sourced from PubChem (CID 23098993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).