N-(2,4-dimethylphenyl)-2-[4-(thiophen-2-ylsulfonylamino)phenyl]sulfanylacetamide

C20H20N2O3S3 — CID 22779734

IUPACN-(2,4-dimethylphenyl)-2-[4-(thiophen-2-ylsulfonylamino)phenyl]sulfanylacetamide
SMILESCc1ccc(NC(=O)CSc2ccc(NS(=O)(=O)c3cccs3)cc2)c(C)c1
InChIInChI=1S/C20H20N2O3S3/c1-14-5-10-18(15(2)12-14)21-19(23)13-27-17-8-6-16(7-9-17)22-28(24,25)20-4-3-11-26-20/h3-12,22H,13H2,1-2H3,(H,21,23)
InChIKeyADYZUDLZJIPCKL-UHFFFAOYSA-N
MW432.59 g/mol
LogP4.90
Rot. Bonds7

About N-(2,4-dimethylphenyl)-2-[4-(thiophen-2-ylsulfonylamino)phenyl]sulfanylacetamide

N-(2,4-dimethylphenyl)-2-[4-(thiophen-2-ylsulfonylamino)phenyl]sulfanylacetamide (PubChem CID 22779734) has the molecular formula C20H20N2O3S3 and a molecular weight of 432.59 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-2-[4-(thiophen-2-ylsulfonylamino)phenyl]sulfanylacetamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-2-[4-(thiophen-2-ylsulfonylamino)phenyl]sulfanylacetamide
PubChem CID22779734
Molecular FormulaC20H20N2O3S3
Molecular Weight432.59 g/mol
Exact Mass432.06
IUPAC NameN-(2,4-dimethylphenyl)-2-[4-(thiophen-2-ylsulfonylamino)phenyl]sulfanylacetamide
SMILESCc1ccc(NC(=O)CSc2ccc(NS(=O)(=O)c3cccs3)cc2)c(C)c1
InChIInChI=1S/C20H20N2O3S3/c1-14-5-10-18(15(2)12-14)21-19(23)13-27-17-8-6-16(7-9-17)22-28(24,25)20-4-3-11-26-20/h3-12,22H,13H2,1-2H3,(H,21,23)
InChIKeyADYZUDLZJIPCKL-UHFFFAOYSA-N
XLogP4.90
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.59
LogP ≤ 54.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-acetamidophenyl)-2-[4-(thiophen-2-ylsulfonylamino)phenyl]sulfanylacetamide
CID 23095595
N-(5-chloro-2-methoxyphenyl)-2-[4-(thiophen-2-ylsulfonylamino)phenyl]sulfanylacetamide
CID 23096482
N-(2,4-dimethylphenyl)-2-(4-methylphenyl)sulfanylacetamide
CID 734052
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[4-(thiophen-2-ylsulfonylamino)phenyl]sulfanylacetamide
CID 23101438
N-(4-phenyl-1,3-thiazol-2-yl)-2-[4-(thiophen-2-ylsulfonylamino)phenyl]sulfanylacetamide
CID 23098780
N-[4-[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanylphenyl]-2-fluorobenzamide
CID 22775332
N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-4-(thiophen-2-ylsulfonylamino)benzamide
CID 37138088
N-[4-[(4-methylphenyl)sulfamoyl]phenyl]-2-(4-methylphenyl)sulfanylacetamide
CID 94841476
N-(2-chlorophenyl)-2-[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfanylacetamide
CID 22782055
N-(3,5-dimethylphenyl)-2-[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfanylacetamide
CID 22781287
2-[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfanyl-N-phenylacetamide
CID 22776004
N-(2,4-dimethylphenyl)-2-(3-methoxyphenyl)sulfanylacetamide
CID 35040719

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-2-[4-(thiophen-2-ylsulfonylamino)phenyl]sulfanylacetamide?
The IUPAC name of N-(2,4-dimethylphenyl)-2-[4-(thiophen-2-ylsulfonylamino)phenyl]sulfanylacetamide (CID 22779734) is N-(2,4-dimethylphenyl)-2-[4-(thiophen-2-ylsulfonylamino)phenyl]sulfanylacetamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-2-[4-(thiophen-2-ylsulfonylamino)phenyl]sulfanylacetamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-2-[4-(thiophen-2-ylsulfonylamino)phenyl]sulfanylacetamide is Cc1ccc(NC(=O)CSc2ccc(NS(=O)(=O)c3cccs3)cc2)c(C)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)-2-[4-(thiophen-2-ylsulfonylamino)phenyl]sulfanylacetamide?
The InChIKey is ADYZUDLZJIPCKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3S3/c1-14-5-10-18(15(2)12-14)21-19(23)13-27-17-8-6-16(7-9-17)22-28(24,25)20-4-3-11-26-20/h3-12,22H,13H2,1-2H3,(H,21,23).
What are the key properties of N-(2,4-dimethylphenyl)-2-[4-(thiophen-2-ylsulfonylamino)phenyl]sulfanylacetamide?
N-(2,4-dimethylphenyl)-2-[4-(thiophen-2-ylsulfonylamino)phenyl]sulfanylacetamide has a molecular weight of 432.59 g/mol, XLogP of 4.90, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-2-[4-(thiophen-2-ylsulfonylamino)phenyl]sulfanylacetamide is sourced from PubChem (CID 22779734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).