2-(4-methoxyphenyl)sulfanyl-N-[4-(phenylsulfanylmethyl)phenyl]acetamide

C22H21NO2S2 — CID 28565140

IUPAC2-(4-methoxyphenyl)sulfanyl-N-[4-(phenylsulfanylmethyl)phenyl]acetamide
SMILESCOc1ccc(SCC(=O)Nc2ccc(CSc3ccccc3)cc2)cc1
InChIInChI=1S/C22H21NO2S2/c1-25-19-11-13-21(14-12-19)27-16-22(24)23-18-9-7-17(8-10-18)15-26-20-5-3-2-4-6-20/h2-14H,15-16H2,1H3,(H,23,24)
InChIKeyIYURZJITNOWOBS-UHFFFAOYSA-N
MW395.55 g/mol
LogP5.72
Rot. Bonds8

About 2-(4-methoxyphenyl)sulfanyl-N-[4-(phenylsulfanylmethyl)phenyl]acetamide

2-(4-methoxyphenyl)sulfanyl-N-[4-(phenylsulfanylmethyl)phenyl]acetamide (PubChem CID 28565140) has the molecular formula C22H21NO2S2 and a molecular weight of 395.55 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)sulfanyl-N-[4-(phenylsulfanylmethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-methoxyphenyl)sulfanyl-N-[4-(phenylsulfanylmethyl)phenyl]acetamide
PubChem CID28565140
Molecular FormulaC22H21NO2S2
Molecular Weight395.55 g/mol
Exact Mass395.10
IUPAC Name2-(4-methoxyphenyl)sulfanyl-N-[4-(phenylsulfanylmethyl)phenyl]acetamide
SMILESCOc1ccc(SCC(=O)Nc2ccc(CSc3ccccc3)cc2)cc1
InChIInChI=1S/C22H21NO2S2/c1-25-19-11-13-21(14-12-19)27-16-22(24)23-18-9-7-17(8-10-18)15-26-20-5-3-2-4-6-20/h2-14H,15-16H2,1H3,(H,23,24)
InChIKeyIYURZJITNOWOBS-UHFFFAOYSA-N
XLogP5.72
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.55
LogP ≤ 55.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-phenylsulfanyl-N-[4-(phenylsulfanylmethyl)phenyl]acetamide
CID 1332250
4-[[2-(4-methoxyphenyl)sulfanylacetyl]amino]benzoic acid
CID 47094711
2-(4-aminophenyl)sulfanyl-N-(4-methoxyphenyl)acetamide
CID 3846730
N-[4-[(4-methoxyphenyl)methylsulfanyl]phenyl]-2,2-dimethylpropanamide
CID 20712298
N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(4-methoxyphenyl)sulfanylacetamide
CID 30996869
methyl 4-[(2-phenylsulfanylacetyl)amino]benzoate
CID 807677
N-methyl-2-[4-[(2-phenylsulfanylacetyl)amino]phenyl]acetamide
CID 134062919
3-methoxy-N-[4-[2-(4-methoxyanilino)-2-oxoethyl]sulfanylphenyl]benzamide
CID 22777789
1-[2-(4-methoxyphenyl)ethyl]-3-[4-(phenylsulfanylmethyl)phenyl]thiourea
CID 100591769
N-benzyl-2-(4-methoxyphenyl)sulfanylacetamide
CID 41320624
N-(3-methoxyphenyl)-2-[4-(phenylcarbamothioylamino)phenyl]sulfanylacetamide
CID 19712816
2-(4-acetamidophenyl)sulfanyl-N-[(S)-(4-methoxyphenyl)-phenylmethyl]acetamide
CID 8565521

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)sulfanyl-N-[4-(phenylsulfanylmethyl)phenyl]acetamide?
The IUPAC name of 2-(4-methoxyphenyl)sulfanyl-N-[4-(phenylsulfanylmethyl)phenyl]acetamide (CID 28565140) is 2-(4-methoxyphenyl)sulfanyl-N-[4-(phenylsulfanylmethyl)phenyl]acetamide.
What is the SMILES notation for 2-(4-methoxyphenyl)sulfanyl-N-[4-(phenylsulfanylmethyl)phenyl]acetamide?
The canonical SMILES for 2-(4-methoxyphenyl)sulfanyl-N-[4-(phenylsulfanylmethyl)phenyl]acetamide is COc1ccc(SCC(=O)Nc2ccc(CSc3ccccc3)cc2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)sulfanyl-N-[4-(phenylsulfanylmethyl)phenyl]acetamide?
The InChIKey is IYURZJITNOWOBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NO2S2/c1-25-19-11-13-21(14-12-19)27-16-22(24)23-18-9-7-17(8-10-18)15-26-20-5-3-2-4-6-20/h2-14H,15-16H2,1H3,(H,23,24).
What are the key properties of 2-(4-methoxyphenyl)sulfanyl-N-[4-(phenylsulfanylmethyl)phenyl]acetamide?
2-(4-methoxyphenyl)sulfanyl-N-[4-(phenylsulfanylmethyl)phenyl]acetamide has a molecular weight of 395.55 g/mol, XLogP of 5.72, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)sulfanyl-N-[4-(phenylsulfanylmethyl)phenyl]acetamide is sourced from PubChem (CID 28565140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).