N-(2-ethoxyphenyl)-4-piperidin-1-ylsulfonylbenzamide

C20H24N2O4S — CID 1077895

IUPACN-(2-ethoxyphenyl)-4-piperidin-1-ylsulfonylbenzamide
SMILESCCOc1ccccc1NC(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C20H24N2O4S/c1-2-26-19-9-5-4-8-18(19)21-20(23)16-10-12-17(13-11-16)27(24,25)22-14-6-3-7-15-22/h4-5,8-13H,2-3,6-7,14-15H2,1H3,(H,21,23)
InChIKeyKUMBZZBJHIEUTA-UHFFFAOYSA-N
MW388.49 g/mol
LogP3.51
Rot. Bonds6

About N-(2-ethoxyphenyl)-4-piperidin-1-ylsulfonylbenzamide

N-(2-ethoxyphenyl)-4-piperidin-1-ylsulfonylbenzamide (PubChem CID 1077895) has the molecular formula C20H24N2O4S and a molecular weight of 388.49 g/mol. Its IUPAC name is N-(2-ethoxyphenyl)-4-piperidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-(2-ethoxyphenyl)-4-piperidin-1-ylsulfonylbenzamide
PubChem CID1077895
Molecular FormulaC20H24N2O4S
Molecular Weight388.49 g/mol
Exact Mass388.15
IUPAC NameN-(2-ethoxyphenyl)-4-piperidin-1-ylsulfonylbenzamide
SMILESCCOc1ccccc1NC(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C20H24N2O4S/c1-2-26-19-9-5-4-8-18(19)21-20(23)16-10-12-17(13-11-16)27(24,25)22-14-6-3-7-15-22/h4-5,8-13H,2-3,6-7,14-15H2,1H3,(H,21,23)
InChIKeyKUMBZZBJHIEUTA-UHFFFAOYSA-N
XLogP3.51
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyphenyl)-4-piperidin-1-ylsulfonylbenzamide?
The IUPAC name of N-(2-ethoxyphenyl)-4-piperidin-1-ylsulfonylbenzamide (CID 1077895) is N-(2-ethoxyphenyl)-4-piperidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-(2-ethoxyphenyl)-4-piperidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-(2-ethoxyphenyl)-4-piperidin-1-ylsulfonylbenzamide is CCOc1ccccc1NC(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1.
What is the InChIKey of N-(2-ethoxyphenyl)-4-piperidin-1-ylsulfonylbenzamide?
The InChIKey is KUMBZZBJHIEUTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4S/c1-2-26-19-9-5-4-8-18(19)21-20(23)16-10-12-17(13-11-16)27(24,25)22-14-6-3-7-15-22/h4-5,8-13H,2-3,6-7,14-15H2,1H3,(H,21,23).
What are the key properties of N-(2-ethoxyphenyl)-4-piperidin-1-ylsulfonylbenzamide?
N-(2-ethoxyphenyl)-4-piperidin-1-ylsulfonylbenzamide has a molecular weight of 388.49 g/mol, XLogP of 3.51, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyphenyl)-4-piperidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 1077895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).