N,4-dimethyl-N-(2-phenoxyethyl)-3-piperidin-1-ylsulfonylbenzamide

C22H28N2O4S — CID 8960790

IUPACN,4-dimethyl-N-(2-phenoxyethyl)-3-piperidin-1-ylsulfonylbenzamide
SMILESCc1ccc(C(=O)N(C)CCOc2ccccc2)cc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C22H28N2O4S/c1-18-11-12-19(17-21(18)29(26,27)24-13-7-4-8-14-24)22(25)23(2)15-16-28-20-9-5-3-6-10-20/h3,5-6,9-12,17H,4,7-8,13-16H2,1-2H3
InChIKeyKZUNDWWKMIWKDW-UHFFFAOYSA-N
MW416.54 g/mol
LogP3.32
Rot. Bonds7

About N,4-dimethyl-N-(2-phenoxyethyl)-3-piperidin-1-ylsulfonylbenzamide

N,4-dimethyl-N-(2-phenoxyethyl)-3-piperidin-1-ylsulfonylbenzamide (PubChem CID 8960790) has the molecular formula C22H28N2O4S and a molecular weight of 416.54 g/mol. Its IUPAC name is N,4-dimethyl-N-(2-phenoxyethyl)-3-piperidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN,4-dimethyl-N-(2-phenoxyethyl)-3-piperidin-1-ylsulfonylbenzamide
PubChem CID8960790
Molecular FormulaC22H28N2O4S
Molecular Weight416.54 g/mol
Exact Mass416.18
IUPAC NameN,4-dimethyl-N-(2-phenoxyethyl)-3-piperidin-1-ylsulfonylbenzamide
SMILESCc1ccc(C(=O)N(C)CCOc2ccccc2)cc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C22H28N2O4S/c1-18-11-12-19(17-21(18)29(26,27)24-13-7-4-8-14-24)22(25)23(2)15-16-28-20-9-5-3-6-10-20/h3,5-6,9-12,17H,4,7-8,13-16H2,1-2H3
InChIKeyKZUNDWWKMIWKDW-UHFFFAOYSA-N
XLogP3.32
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.54
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-N-(2-phenoxyethyl)-3-piperidin-1-ylsulfonylbenzamide?
The IUPAC name of N,4-dimethyl-N-(2-phenoxyethyl)-3-piperidin-1-ylsulfonylbenzamide (CID 8960790) is N,4-dimethyl-N-(2-phenoxyethyl)-3-piperidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N,4-dimethyl-N-(2-phenoxyethyl)-3-piperidin-1-ylsulfonylbenzamide?
The canonical SMILES for N,4-dimethyl-N-(2-phenoxyethyl)-3-piperidin-1-ylsulfonylbenzamide is Cc1ccc(C(=O)N(C)CCOc2ccccc2)cc1S(=O)(=O)N1CCCCC1.
What is the InChIKey of N,4-dimethyl-N-(2-phenoxyethyl)-3-piperidin-1-ylsulfonylbenzamide?
The InChIKey is KZUNDWWKMIWKDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O4S/c1-18-11-12-19(17-21(18)29(26,27)24-13-7-4-8-14-24)22(25)23(2)15-16-28-20-9-5-3-6-10-20/h3,5-6,9-12,17H,4,7-8,13-16H2,1-2H3.
What are the key properties of N,4-dimethyl-N-(2-phenoxyethyl)-3-piperidin-1-ylsulfonylbenzamide?
N,4-dimethyl-N-(2-phenoxyethyl)-3-piperidin-1-ylsulfonylbenzamide has a molecular weight of 416.54 g/mol, XLogP of 3.32, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-N-(2-phenoxyethyl)-3-piperidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 8960790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).