N-[4-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]sulfonylphenyl]-2-ethoxyacetamide

C22H26N4O4S — CID 18575337

IUPACN-[4-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]sulfonylphenyl]-2-ethoxyacetamide
SMILESCCOCC(=O)Nc1ccc(S(=O)(=O)N2CCC(c3nc4ccccc4[nH]3)CC2)cc1
InChIInChI=1S/C22H26N4O4S/c1-2-30-15-21(27)23-17-7-9-18(10-8-17)31(28,29)26-13-11-16(12-14-26)22-24-19-5-3-4-6-20(19)25-22/h3-10,16H,2,11-15H2,1H3,(H,23,27)(H,24,25)
InChIKeyWSDCRDMDJQTOGX-UHFFFAOYSA-N
MW442.54 g/mol
LogP3.11
Rot. Bonds7

About N-[4-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]sulfonylphenyl]-2-ethoxyacetamide

N-[4-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]sulfonylphenyl]-2-ethoxyacetamide (PubChem CID 18575337) has the molecular formula C22H26N4O4S and a molecular weight of 442.54 g/mol. Its IUPAC name is N-[4-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]sulfonylphenyl]-2-ethoxyacetamide.

Molecular Properties

Compound NameN-[4-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]sulfonylphenyl]-2-ethoxyacetamide
PubChem CID18575337
Molecular FormulaC22H26N4O4S
Molecular Weight442.54 g/mol
Exact Mass442.17
IUPAC NameN-[4-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]sulfonylphenyl]-2-ethoxyacetamide
SMILESCCOCC(=O)Nc1ccc(S(=O)(=O)N2CCC(c3nc4ccccc4[nH]3)CC2)cc1
InChIInChI=1S/C22H26N4O4S/c1-2-30-15-21(27)23-17-7-9-18(10-8-17)31(28,29)26-13-11-16(12-14-26)22-24-19-5-3-4-6-20(19)25-22/h3-10,16H,2,11-15H2,1H3,(H,23,27)(H,24,25)
InChIKeyWSDCRDMDJQTOGX-UHFFFAOYSA-N
XLogP3.11
TPSA104.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.54
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]sulfonylphenyl]-2-ethoxyacetamide?
The IUPAC name of N-[4-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]sulfonylphenyl]-2-ethoxyacetamide (CID 18575337) is N-[4-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]sulfonylphenyl]-2-ethoxyacetamide.
What is the SMILES notation for N-[4-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]sulfonylphenyl]-2-ethoxyacetamide?
The canonical SMILES for N-[4-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]sulfonylphenyl]-2-ethoxyacetamide is CCOCC(=O)Nc1ccc(S(=O)(=O)N2CCC(c3nc4ccccc4[nH]3)CC2)cc1.
What is the InChIKey of N-[4-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]sulfonylphenyl]-2-ethoxyacetamide?
The InChIKey is WSDCRDMDJQTOGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O4S/c1-2-30-15-21(27)23-17-7-9-18(10-8-17)31(28,29)26-13-11-16(12-14-26)22-24-19-5-3-4-6-20(19)25-22/h3-10,16H,2,11-15H2,1H3,(H,23,27)(H,24,25).
What are the key properties of N-[4-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]sulfonylphenyl]-2-ethoxyacetamide?
N-[4-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]sulfonylphenyl]-2-ethoxyacetamide has a molecular weight of 442.54 g/mol, XLogP of 3.11, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]sulfonylphenyl]-2-ethoxyacetamide is sourced from PubChem (CID 18575337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).