N-[4-[(2,5-dimethoxyphenyl)methylsulfonyl]phenyl]-2-(4-methylphenyl)sulfanylacetamide

C24H25NO5S2 — CID 161186563

IUPACN-[4-[(2,5-dimethoxyphenyl)methylsulfonyl]phenyl]-2-(4-methylphenyl)sulfanylacetamide
SMILESCOc1ccc(OC)c(CS(=O)(=O)c2ccc(NC(=O)CSc3ccc(C)cc3)cc2)c1
InChIInChI=1S/C24H25NO5S2/c1-17-4-9-21(10-5-17)31-15-24(26)25-19-6-11-22(12-7-19)32(27,28)16-18-14-20(29-2)8-13-23(18)30-3/h4-14H,15-16H2,1-3H3,(H,25,26)
InChIKeyAWAHLRGVZKQHFJ-UHFFFAOYSA-N
MW471.60 g/mol
LogP4.72
Rot. Bonds9

About N-[4-[(2,5-dimethoxyphenyl)methylsulfonyl]phenyl]-2-(4-methylphenyl)sulfanylacetamide

N-[4-[(2,5-dimethoxyphenyl)methylsulfonyl]phenyl]-2-(4-methylphenyl)sulfanylacetamide (PubChem CID 161186563) has the molecular formula C24H25NO5S2 and a molecular weight of 471.60 g/mol. Its IUPAC name is N-[4-[(2,5-dimethoxyphenyl)methylsulfonyl]phenyl]-2-(4-methylphenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-[4-[(2,5-dimethoxyphenyl)methylsulfonyl]phenyl]-2-(4-methylphenyl)sulfanylacetamide
PubChem CID161186563
Molecular FormulaC24H25NO5S2
Molecular Weight471.60 g/mol
Exact Mass471.12
IUPAC NameN-[4-[(2,5-dimethoxyphenyl)methylsulfonyl]phenyl]-2-(4-methylphenyl)sulfanylacetamide
SMILESCOc1ccc(OC)c(CS(=O)(=O)c2ccc(NC(=O)CSc3ccc(C)cc3)cc2)c1
InChIInChI=1S/C24H25NO5S2/c1-17-4-9-21(10-5-17)31-15-24(26)25-19-6-11-22(12-7-19)32(27,28)16-18-14-20(29-2)8-13-23(18)30-3/h4-14H,15-16H2,1-3H3,(H,25,26)
InChIKeyAWAHLRGVZKQHFJ-UHFFFAOYSA-N
XLogP4.72
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.60
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(2,5-dimethoxyphenyl)methylsulfonylamino]-N-(4-methylphenyl)acetamide
CID 22300235
N-(4-ethylsulfonylphenyl)-2-(4-methylphenyl)sulfanylacetamide
CID 39862572
N-[4-[(2,5-dimethoxyphenyl)methylsulfonyl]phenyl]prop-2-enamide
CID 161186562
N-[4-[(4-methylphenyl)sulfamoyl]phenyl]-2-(4-methylphenyl)sulfanylacetamide
CID 94841476
N-(4-ethoxyphenyl)-2-[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfanylacetamide
CID 23094970
2-(4-methoxyphenyl)sulfanyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 28633089
2-(3,4-dimethoxyphenyl)sulfanyl-N-[4-[(3-methylphenyl)sulfamoyl]phenyl]acetamide
CID 30390096
N-(4-butoxyphenyl)-2-[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfanylacetamide
CID 23098400
N-(2,5-dimethoxyphenyl)-2-(4-methoxyphenyl)sulfanylacetamide
CID 8907113
N-(3,5-dimethylphenyl)-2-[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfanylacetamide
CID 22781287
2-[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfanyl-N-phenylacetamide
CID 22776004
2-[(2,5-dimethoxyphenyl)methyl-methylamino]-N-(4-methylphenyl)acetamide
CID 8786291

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2,5-dimethoxyphenyl)methylsulfonyl]phenyl]-2-(4-methylphenyl)sulfanylacetamide?
The IUPAC name of N-[4-[(2,5-dimethoxyphenyl)methylsulfonyl]phenyl]-2-(4-methylphenyl)sulfanylacetamide (CID 161186563) is N-[4-[(2,5-dimethoxyphenyl)methylsulfonyl]phenyl]-2-(4-methylphenyl)sulfanylacetamide.
What is the SMILES notation for N-[4-[(2,5-dimethoxyphenyl)methylsulfonyl]phenyl]-2-(4-methylphenyl)sulfanylacetamide?
The canonical SMILES for N-[4-[(2,5-dimethoxyphenyl)methylsulfonyl]phenyl]-2-(4-methylphenyl)sulfanylacetamide is COc1ccc(OC)c(CS(=O)(=O)c2ccc(NC(=O)CSc3ccc(C)cc3)cc2)c1.
What is the InChIKey of N-[4-[(2,5-dimethoxyphenyl)methylsulfonyl]phenyl]-2-(4-methylphenyl)sulfanylacetamide?
The InChIKey is AWAHLRGVZKQHFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25NO5S2/c1-17-4-9-21(10-5-17)31-15-24(26)25-19-6-11-22(12-7-19)32(27,28)16-18-14-20(29-2)8-13-23(18)30-3/h4-14H,15-16H2,1-3H3,(H,25,26).
What are the key properties of N-[4-[(2,5-dimethoxyphenyl)methylsulfonyl]phenyl]-2-(4-methylphenyl)sulfanylacetamide?
N-[4-[(2,5-dimethoxyphenyl)methylsulfonyl]phenyl]-2-(4-methylphenyl)sulfanylacetamide has a molecular weight of 471.60 g/mol, XLogP of 4.72, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2,5-dimethoxyphenyl)methylsulfonyl]phenyl]-2-(4-methylphenyl)sulfanylacetamide is sourced from PubChem (CID 161186563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).