N-benzyl-N-ethyl-4-piperidin-1-ylsulfonylbenzamide

C21H26N2O3S — CID 9098546

IUPACN-benzyl-N-ethyl-4-piperidin-1-ylsulfonylbenzamide
SMILESCCN(Cc1ccccc1)C(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C21H26N2O3S/c1-2-22(17-18-9-5-3-6-10-18)21(24)19-11-13-20(14-12-19)27(25,26)23-15-7-4-8-16-23/h3,5-6,9-14H,2,4,7-8,15-17H2,1H3
InChIKeyUWQTXLVUPFJVNG-UHFFFAOYSA-N
MW386.52 g/mol
LogP3.52
Rot. Bonds6

About N-benzyl-N-ethyl-4-piperidin-1-ylsulfonylbenzamide

N-benzyl-N-ethyl-4-piperidin-1-ylsulfonylbenzamide (PubChem CID 9098546) has the molecular formula C21H26N2O3S and a molecular weight of 386.52 g/mol. Its IUPAC name is N-benzyl-N-ethyl-4-piperidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-benzyl-N-ethyl-4-piperidin-1-ylsulfonylbenzamide
PubChem CID9098546
Molecular FormulaC21H26N2O3S
Molecular Weight386.52 g/mol
Exact Mass386.17
IUPAC NameN-benzyl-N-ethyl-4-piperidin-1-ylsulfonylbenzamide
SMILESCCN(Cc1ccccc1)C(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C21H26N2O3S/c1-2-22(17-18-9-5-3-6-10-18)21(24)19-11-13-20(14-12-19)27(25,26)23-15-7-4-8-16-23/h3,5-6,9-14H,2,4,7-8,15-17H2,1H3
InChIKeyUWQTXLVUPFJVNG-UHFFFAOYSA-N
XLogP3.52
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.52
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-N-ethyl-4-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 9098528
N-benzyl-N-propan-2-yl-4-pyrrolidin-1-ylsulfonylbenzamide
CID 51180384
2-[benzyl(methyl)amino]-1-(4-piperidin-1-ylsulfonylphenyl)ethanone
CID 110824116
[2-(dibenzylamino)-2-oxoethyl] 4-piperidin-1-ylsulfonylbenzoate
CID 23880152
1-(benzenesulfonyl)-N-benzyl-N-ethylpiperidine-4-carboxamide
CID 26415263
3-(azepan-1-ylsulfonyl)-N-ethyl-N-[(3-fluorophenyl)methyl]benzamide
CID 43028012
3-(4-acetylpiperazin-1-yl)sulfonyl-N-benzyl-N-ethylbenzamide
CID 19257293
N-benzyl-N-(2-phenylethyl)-3-piperidin-1-ylsulfonylbenzamide
CID 24980279
N-benzyl-N-methyl-2-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 51147794
N-[4-(azepan-1-ylsulfonyl)phenyl]-2-[benzyl(ethyl)amino]acetamide
CID 8563826
2-[benzyl(ethyl)amino]-N-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 8541265
N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-4-piperidin-1-ylsulfonylbenzamide
CID 24979798

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-ethyl-4-piperidin-1-ylsulfonylbenzamide?
The IUPAC name of N-benzyl-N-ethyl-4-piperidin-1-ylsulfonylbenzamide (CID 9098546) is N-benzyl-N-ethyl-4-piperidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-benzyl-N-ethyl-4-piperidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-benzyl-N-ethyl-4-piperidin-1-ylsulfonylbenzamide is CCN(Cc1ccccc1)C(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1.
What is the InChIKey of N-benzyl-N-ethyl-4-piperidin-1-ylsulfonylbenzamide?
The InChIKey is UWQTXLVUPFJVNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3S/c1-2-22(17-18-9-5-3-6-10-18)21(24)19-11-13-20(14-12-19)27(25,26)23-15-7-4-8-16-23/h3,5-6,9-14H,2,4,7-8,15-17H2,1H3.
What are the key properties of N-benzyl-N-ethyl-4-piperidin-1-ylsulfonylbenzamide?
N-benzyl-N-ethyl-4-piperidin-1-ylsulfonylbenzamide has a molecular weight of 386.52 g/mol, XLogP of 3.52, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-ethyl-4-piperidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 9098546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).