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

C23H21N3O4S2 — CID 3460987

IUPAC2-[1-(benzenesulfonyl)benzimidazol-2-yl]sulfanyl-N-(4-ethoxyphenyl)acetamide
SMILESCCOc1ccc(NC(=O)CSc2nc3ccccc3n2S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C23H21N3O4S2/c1-2-30-18-14-12-17(13-15-18)24-22(27)16-31-23-25-20-10-6-7-11-21(20)26(23)32(28,29)19-8-4-3-5-9-19/h3-15H,2,16H2,1H3,(H,24,27)
InChIKeyCWJYHCDMVTZDCQ-UHFFFAOYSA-N
MW467.57 g/mol
LogP4.40
Rot. Bonds8

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

2-[1-(benzenesulfonyl)benzimidazol-2-yl]sulfanyl-N-(4-ethoxyphenyl)acetamide (PubChem CID 3460987) 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-ethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[1-(benzenesulfonyl)benzimidazol-2-yl]sulfanyl-N-(4-ethoxyphenyl)acetamide
PubChem CID3460987
Molecular FormulaC23H21N3O4S2
Molecular Weight467.57 g/mol
Exact Mass467.10
IUPAC Name2-[1-(benzenesulfonyl)benzimidazol-2-yl]sulfanyl-N-(4-ethoxyphenyl)acetamide
SMILESCCOc1ccc(NC(=O)CSc2nc3ccccc3n2S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C23H21N3O4S2/c1-2-30-18-14-12-17(13-15-18)24-22(27)16-31-23-25-20-10-6-7-11-21(20)26(23)32(28,29)19-8-4-3-5-9-19/h3-15H,2,16H2,1H3,(H,24,27)
InChIKeyCWJYHCDMVTZDCQ-UHFFFAOYSA-N
XLogP4.40
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.57
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-ethoxyphenyl)-2-(1-methylbenzimidazol-2-yl)sulfanylacetamide
CID 4789081
2-[1-(benzenesulfonyl)benzimidazol-2-yl]sulfanyl-N-(4-methoxy-2-methylphenyl)acetamide
CID 39929865
N-(4-ethoxyphenyl)-2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylacetamide
CID 16505882
2-[6-methoxy-1-(4-methylphenyl)sulfonylbenzimidazol-2-yl]sulfanyl-N-(4-phenoxyphenyl)acetamide
CID 3698242
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
N-[2-[2-(4-ethoxyanilino)-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]benzamide
CID 5061258
N-(4-ethoxyphenyl)-2-[4-oxo-3-(2-phenylethyl)quinazolin-2-yl]sulfanylacetamide
CID 4646087
2-[3-[(2S)-butan-2-yl]-4-oxoquinazolin-2-yl]sulfanyl-N-(4-ethoxyphenyl)acetamide
CID 7428484
N-(4-ethoxyphenyl)-2-(4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanylacetamide
CID 980221
2-[[5-[1-(benzenesulfonyl)indol-3-yl]-4-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-ethylphenyl)acetamide
CID 71694978
2-[1-(3,5-dimethylphenyl)sulfonylbenzimidazol-2-yl]sulfanyl-N-(2-methylphenyl)acetamide
CID 134817030

Frequently Asked Questions

What is the IUPAC name of 2-[1-(benzenesulfonyl)benzimidazol-2-yl]sulfanyl-N-(4-ethoxyphenyl)acetamide?
The IUPAC name of 2-[1-(benzenesulfonyl)benzimidazol-2-yl]sulfanyl-N-(4-ethoxyphenyl)acetamide (CID 3460987) is 2-[1-(benzenesulfonyl)benzimidazol-2-yl]sulfanyl-N-(4-ethoxyphenyl)acetamide.
What is the SMILES notation for 2-[1-(benzenesulfonyl)benzimidazol-2-yl]sulfanyl-N-(4-ethoxyphenyl)acetamide?
The canonical SMILES for 2-[1-(benzenesulfonyl)benzimidazol-2-yl]sulfanyl-N-(4-ethoxyphenyl)acetamide is CCOc1ccc(NC(=O)CSc2nc3ccccc3n2S(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of 2-[1-(benzenesulfonyl)benzimidazol-2-yl]sulfanyl-N-(4-ethoxyphenyl)acetamide?
The InChIKey is CWJYHCDMVTZDCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O4S2/c1-2-30-18-14-12-17(13-15-18)24-22(27)16-31-23-25-20-10-6-7-11-21(20)26(23)32(28,29)19-8-4-3-5-9-19/h3-15H,2,16H2,1H3,(H,24,27).
What are the key properties of 2-[1-(benzenesulfonyl)benzimidazol-2-yl]sulfanyl-N-(4-ethoxyphenyl)acetamide?
2-[1-(benzenesulfonyl)benzimidazol-2-yl]sulfanyl-N-(4-ethoxyphenyl)acetamide has a molecular weight of 467.57 g/mol, XLogP of 4.40, 8 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-ethoxyphenyl)acetamide is sourced from PubChem (CID 3460987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).