2-[1-(4-methoxyphenyl)benzimidazol-2-yl]sulfanyl-N-(3-methylsulfonylphenyl)acetamide

C23H21N3O4S2 — CID 26931379

IUPAC2-[1-(4-methoxyphenyl)benzimidazol-2-yl]sulfanyl-N-(3-methylsulfonylphenyl)acetamide
SMILESCOc1ccc(-n2c(SCC(=O)Nc3cccc(S(C)(=O)=O)c3)nc3ccccc32)cc1
InChIInChI=1S/C23H21N3O4S2/c1-30-18-12-10-17(11-13-18)26-21-9-4-3-8-20(21)25-23(26)31-15-22(27)24-16-6-5-7-19(14-16)32(2,28)29/h3-14H,15H2,1-2H3,(H,24,27)
InChIKeyKZJDETHBOOWHFR-UHFFFAOYSA-N
MW467.57 g/mol
LogP4.17
Rot. Bonds7

About 2-[1-(4-methoxyphenyl)benzimidazol-2-yl]sulfanyl-N-(3-methylsulfonylphenyl)acetamide

2-[1-(4-methoxyphenyl)benzimidazol-2-yl]sulfanyl-N-(3-methylsulfonylphenyl)acetamide (PubChem CID 26931379) has the molecular formula C23H21N3O4S2 and a molecular weight of 467.57 g/mol. Its IUPAC name is 2-[1-(4-methoxyphenyl)benzimidazol-2-yl]sulfanyl-N-(3-methylsulfonylphenyl)acetamide.

Molecular Properties

Compound Name2-[1-(4-methoxyphenyl)benzimidazol-2-yl]sulfanyl-N-(3-methylsulfonylphenyl)acetamide
PubChem CID26931379
Molecular FormulaC23H21N3O4S2
Molecular Weight467.57 g/mol
Exact Mass467.10
IUPAC Name2-[1-(4-methoxyphenyl)benzimidazol-2-yl]sulfanyl-N-(3-methylsulfonylphenyl)acetamide
SMILESCOc1ccc(-n2c(SCC(=O)Nc3cccc(S(C)(=O)=O)c3)nc3ccccc32)cc1
InChIInChI=1S/C23H21N3O4S2/c1-30-18-12-10-17(11-13-18)26-21-9-4-3-8-20(21)25-23(26)31-15-22(27)24-16-6-5-7-19(14-16)32(2,28)29/h3-14H,15H2,1-2H3,(H,24,27)
InChIKeyKZJDETHBOOWHFR-UHFFFAOYSA-N
XLogP4.17
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.57
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[3-(dimethylsulfamoyl)phenyl]-2-(1-phenylbenzimidazol-2-yl)sulfanylacetamide
CID 4560229
N-(2,6-difluorophenyl)-2-[1-(4-methoxyphenyl)benzimidazol-2-yl]sulfanylacetamide
CID 16538555
N-[4-[(2S)-butan-2-yl]phenyl]-2-[1-(4-methoxyphenyl)benzimidazol-2-yl]sulfanylacetamide
CID 26888965
N-(3,4-dimethoxyphenyl)-2-(1-phenylbenzimidazol-2-yl)sulfanylacetamide
CID 5072575
2-[1-(4-methoxyphenyl)benzimidazol-2-yl]sulfanyl-N-(thiophen-2-ylmethyl)acetamide
CID 17460556
2-[[4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-sulfamoylphenyl)acetamide
CID 3626432
2-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(3-methoxyphenyl)acetamide
CID 1273470
N-[(3-methoxyphenyl)methyl]-2-(1-phenylbenzimidazol-2-yl)sulfanylacetamide
CID 40550616
N-(2-methoxyphenyl)-2-(1-phenylbenzimidazol-2-yl)sulfanylacetamide
CID 4076594
N-[3-(dimethylsulfamoyl)phenyl]-2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylacetamide
CID 16505860
2-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(3-sulfamoylphenyl)acetamide
CID 41498514
1-(4-methoxyphenyl)-2-[(3-methylsulfonylphenoxy)methyl]benzimidazole
CID 55732984

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-methoxyphenyl)benzimidazol-2-yl]sulfanyl-N-(3-methylsulfonylphenyl)acetamide?
The IUPAC name of 2-[1-(4-methoxyphenyl)benzimidazol-2-yl]sulfanyl-N-(3-methylsulfonylphenyl)acetamide (CID 26931379) is 2-[1-(4-methoxyphenyl)benzimidazol-2-yl]sulfanyl-N-(3-methylsulfonylphenyl)acetamide.
What is the SMILES notation for 2-[1-(4-methoxyphenyl)benzimidazol-2-yl]sulfanyl-N-(3-methylsulfonylphenyl)acetamide?
The canonical SMILES for 2-[1-(4-methoxyphenyl)benzimidazol-2-yl]sulfanyl-N-(3-methylsulfonylphenyl)acetamide is COc1ccc(-n2c(SCC(=O)Nc3cccc(S(C)(=O)=O)c3)nc3ccccc32)cc1.
What is the InChIKey of 2-[1-(4-methoxyphenyl)benzimidazol-2-yl]sulfanyl-N-(3-methylsulfonylphenyl)acetamide?
The InChIKey is KZJDETHBOOWHFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O4S2/c1-30-18-12-10-17(11-13-18)26-21-9-4-3-8-20(21)25-23(26)31-15-22(27)24-16-6-5-7-19(14-16)32(2,28)29/h3-14H,15H2,1-2H3,(H,24,27).
What are the key properties of 2-[1-(4-methoxyphenyl)benzimidazol-2-yl]sulfanyl-N-(3-methylsulfonylphenyl)acetamide?
2-[1-(4-methoxyphenyl)benzimidazol-2-yl]sulfanyl-N-(3-methylsulfonylphenyl)acetamide has a molecular weight of 467.57 g/mol, XLogP of 4.17, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-methoxyphenyl)benzimidazol-2-yl]sulfanyl-N-(3-methylsulfonylphenyl)acetamide is sourced from PubChem (CID 26931379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).