2-[1-(benzenesulfonyl)benzimidazol-2-yl]sulfanyl-N-(4-methoxy-2-methylphenyl)acetamide

C23H21N3O4S2 — CID 39929865

IUPAC2-[1-(benzenesulfonyl)benzimidazol-2-yl]sulfanyl-N-(4-methoxy-2-methylphenyl)acetamide
SMILESCOc1ccc(NC(=O)CSc2nc3ccccc3n2S(=O)(=O)c2ccccc2)c(C)c1
InChIInChI=1S/C23H21N3O4S2/c1-16-14-17(30-2)12-13-19(16)24-22(27)15-31-23-25-20-10-6-7-11-21(20)26(23)32(28,29)18-8-4-3-5-9-18/h3-14H,15H2,1-2H3,(H,24,27)
InChIKeyMKKJBLVKPMDMDF-UHFFFAOYSA-N
MW467.57 g/mol
LogP4.32
Rot. Bonds7

About 2-[1-(benzenesulfonyl)benzimidazol-2-yl]sulfanyl-N-(4-methoxy-2-methylphenyl)acetamide

2-[1-(benzenesulfonyl)benzimidazol-2-yl]sulfanyl-N-(4-methoxy-2-methylphenyl)acetamide (PubChem CID 39929865) has the molecular formula C23H21N3O4S2 and a molecular weight of 467.57 g/mol. Its IUPAC name is 2-[1-(benzenesulfonyl)benzimidazol-2-yl]sulfanyl-N-(4-methoxy-2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[1-(benzenesulfonyl)benzimidazol-2-yl]sulfanyl-N-(4-methoxy-2-methylphenyl)acetamide
PubChem CID39929865
Molecular FormulaC23H21N3O4S2
Molecular Weight467.57 g/mol
Exact Mass467.10
IUPAC Name2-[1-(benzenesulfonyl)benzimidazol-2-yl]sulfanyl-N-(4-methoxy-2-methylphenyl)acetamide
SMILESCOc1ccc(NC(=O)CSc2nc3ccccc3n2S(=O)(=O)c2ccccc2)c(C)c1
InChIInChI=1S/C23H21N3O4S2/c1-16-14-17(30-2)12-13-19(16)24-22(27)15-31-23-25-20-10-6-7-11-21(20)26(23)32(28,29)18-8-4-3-5-9-18/h3-14H,15H2,1-2H3,(H,24,27)
InChIKeyMKKJBLVKPMDMDF-UHFFFAOYSA-N
XLogP4.32
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 ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[1-(3,5-dimethylphenyl)sulfonylbenzimidazol-2-yl]sulfanyl-N-(2-methylphenyl)acetamide
CID 134817030
2-[1-(benzenesulfonyl)benzimidazol-2-yl]sulfanyl-N-(4-ethoxyphenyl)acetamide
CID 3460987
N-(5-chloro-2-methoxyphenyl)-2-[1-(4-methylphenyl)sulfonylbenzimidazol-2-yl]sulfanylacetamide
CID 4302126
2-[6-methoxy-1-(4-methylphenyl)sulfonylbenzimidazol-2-yl]sulfanyl-N-(4-phenoxyphenyl)acetamide
CID 3698242
2-(1,3-benzothiazol-2-ylsulfanyl)-N-(4-methoxy-2-methylphenyl)acetamide
CID 4041341
2-(benzenesulfonyl)-N-(4-methoxy-2-methylphenyl)acetamide
CID 3543556
ethyl 4-[[2-[1-(benzenesulfonyl)benzimidazol-2-yl]sulfanylacetyl]amino]piperidine-1-carboxylate
CID 6616633
3-[1-(benzenesulfonyl)benzimidazol-2-yl]sulfanyl-N-ethylpropanamide
CID 992142
2-[1-(4-methoxyphenyl)benzimidazol-2-yl]sulfanyl-N-(3-methylsulfonylphenyl)acetamide
CID 26931379
N-(4-methoxy-2-methylphenyl)-2-[[5-(2-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 9422401
2-anilino-N-(4-methoxy-2-methylphenyl)acetamide
CID 62871353
N-(2-fluorophenyl)-2-(1-thiophen-2-ylsulfonylbenzimidazol-2-yl)sulfanylacetamide
CID 6616695

Frequently Asked Questions

What is the IUPAC name of 2-[1-(benzenesulfonyl)benzimidazol-2-yl]sulfanyl-N-(4-methoxy-2-methylphenyl)acetamide?
The IUPAC name of 2-[1-(benzenesulfonyl)benzimidazol-2-yl]sulfanyl-N-(4-methoxy-2-methylphenyl)acetamide (CID 39929865) is 2-[1-(benzenesulfonyl)benzimidazol-2-yl]sulfanyl-N-(4-methoxy-2-methylphenyl)acetamide.
What is the SMILES notation for 2-[1-(benzenesulfonyl)benzimidazol-2-yl]sulfanyl-N-(4-methoxy-2-methylphenyl)acetamide?
The canonical SMILES for 2-[1-(benzenesulfonyl)benzimidazol-2-yl]sulfanyl-N-(4-methoxy-2-methylphenyl)acetamide is COc1ccc(NC(=O)CSc2nc3ccccc3n2S(=O)(=O)c2ccccc2)c(C)c1.
What is the InChIKey of 2-[1-(benzenesulfonyl)benzimidazol-2-yl]sulfanyl-N-(4-methoxy-2-methylphenyl)acetamide?
The InChIKey is MKKJBLVKPMDMDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O4S2/c1-16-14-17(30-2)12-13-19(16)24-22(27)15-31-23-25-20-10-6-7-11-21(20)26(23)32(28,29)18-8-4-3-5-9-18/h3-14H,15H2,1-2H3,(H,24,27).
What are the key properties of 2-[1-(benzenesulfonyl)benzimidazol-2-yl]sulfanyl-N-(4-methoxy-2-methylphenyl)acetamide?
2-[1-(benzenesulfonyl)benzimidazol-2-yl]sulfanyl-N-(4-methoxy-2-methylphenyl)acetamide has a molecular weight of 467.57 g/mol, XLogP of 4.32, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(benzenesulfonyl)benzimidazol-2-yl]sulfanyl-N-(4-methoxy-2-methylphenyl)acetamide is sourced from PubChem (CID 39929865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).