2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(2-piperidin-1-ylsulfonylphenyl)acetamide

C22H26N4O4S — CID 52662712

IUPAC2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(2-piperidin-1-ylsulfonylphenyl)acetamide
SMILESCCn1c(=O)n(CC(=O)Nc2ccccc2S(=O)(=O)N2CCCCC2)c2ccccc21
InChIInChI=1S/C22H26N4O4S/c1-2-25-18-11-5-6-12-19(18)26(22(25)28)16-21(27)23-17-10-4-7-13-20(17)31(29,30)24-14-8-3-9-15-24/h4-7,10-13H,2-3,8-9,14-16H2,1H3,(H,23,27)
InChIKeyLDRWZIVPJIFLRS-UHFFFAOYSA-N
MW442.54 g/mol
LogP2.64
Rot. Bonds6

About 2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(2-piperidin-1-ylsulfonylphenyl)acetamide

2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(2-piperidin-1-ylsulfonylphenyl)acetamide (PubChem CID 52662712) has the molecular formula C22H26N4O4S and a molecular weight of 442.54 g/mol. Its IUPAC name is 2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(2-piperidin-1-ylsulfonylphenyl)acetamide.

Molecular Properties

Compound Name2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(2-piperidin-1-ylsulfonylphenyl)acetamide
PubChem CID52662712
Molecular FormulaC22H26N4O4S
Molecular Weight442.54 g/mol
Exact Mass442.17
IUPAC Name2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(2-piperidin-1-ylsulfonylphenyl)acetamide
SMILESCCn1c(=O)n(CC(=O)Nc2ccccc2S(=O)(=O)N2CCCCC2)c2ccccc21
InChIInChI=1S/C22H26N4O4S/c1-2-25-18-11-5-6-12-19(18)26(22(25)28)16-21(27)23-17-10-4-7-13-20(17)31(29,30)24-14-8-3-9-15-24/h4-7,10-13H,2-3,8-9,14-16H2,1H3,(H,23,27)
InChIKeyLDRWZIVPJIFLRS-UHFFFAOYSA-N
XLogP2.64
TPSA93.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.54
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-piperidin-1-ylsulfonylphenyl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
CID 60549313
2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 46419716
N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-2-(2-oxo-3-propylbenzimidazol-1-yl)acetamide
CID 27287862
2-(2-oxo-3-propylbenzimidazol-1-yl)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 27285530
2-(3,7-dimethyl-2,6-dioxopurin-1-yl)-N-(2-piperidin-1-ylsulfonylphenyl)acetamide
CID 55919558
2-(4-acetamidophenyl)-N-(2-piperidin-1-ylsulfonylphenyl)acetamide
CID 55921108
2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-[2-(piperidine-1-carbonyl)phenyl]acetamide
CID 35278255
N-[4-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-2-(3-ethyl-2-oxobenzimidazol-1-yl)acetamide
CID 47037114
N-(2-chlorophenyl)-2-(2-oxo-3-propan-2-yl-6-pyrrolidin-1-ylsulfonylbenzimidazol-1-yl)acetamide
CID 53139129
4-(1,3-dioxoisoindol-2-yl)-N-(2-piperidin-1-ylsulfonylphenyl)butanamide
CID 55817431
2-(2-nitrophenyl)-N-(2-piperidin-1-ylsulfonylphenyl)acetamide
CID 52662793
N'-[3-(3-ethyl-2-oxobenzimidazol-1-yl)propanoyl]-3-piperidin-1-ylsulfonylbenzohydrazide
CID 34553635

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(2-piperidin-1-ylsulfonylphenyl)acetamide?
The IUPAC name of 2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(2-piperidin-1-ylsulfonylphenyl)acetamide (CID 52662712) is 2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(2-piperidin-1-ylsulfonylphenyl)acetamide.
What is the SMILES notation for 2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(2-piperidin-1-ylsulfonylphenyl)acetamide?
The canonical SMILES for 2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(2-piperidin-1-ylsulfonylphenyl)acetamide is CCn1c(=O)n(CC(=O)Nc2ccccc2S(=O)(=O)N2CCCCC2)c2ccccc21.
What is the InChIKey of 2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(2-piperidin-1-ylsulfonylphenyl)acetamide?
The InChIKey is LDRWZIVPJIFLRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O4S/c1-2-25-18-11-5-6-12-19(18)26(22(25)28)16-21(27)23-17-10-4-7-13-20(17)31(29,30)24-14-8-3-9-15-24/h4-7,10-13H,2-3,8-9,14-16H2,1H3,(H,23,27).
What are the key properties of 2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(2-piperidin-1-ylsulfonylphenyl)acetamide?
2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(2-piperidin-1-ylsulfonylphenyl)acetamide has a molecular weight of 442.54 g/mol, XLogP of 2.64, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(2-piperidin-1-ylsulfonylphenyl)acetamide is sourced from PubChem (CID 52662712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).