N-(2,6-diethylphenyl)-3-piperidin-1-ylsulfonylbenzamide

C22H28N2O3S — CID 26880556

IUPACN-(2,6-diethylphenyl)-3-piperidin-1-ylsulfonylbenzamide
SMILESCCc1cccc(CC)c1NC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C22H28N2O3S/c1-3-17-10-8-11-18(4-2)21(17)23-22(25)19-12-9-13-20(16-19)28(26,27)24-14-6-5-7-15-24/h8-13,16H,3-7,14-15H2,1-2H3,(H,23,25)
InChIKeyUNIMNXMLIZIOQW-UHFFFAOYSA-N
MW400.54 g/mol
LogP4.24
Rot. Bonds6

About N-(2,6-diethylphenyl)-3-piperidin-1-ylsulfonylbenzamide

N-(2,6-diethylphenyl)-3-piperidin-1-ylsulfonylbenzamide (PubChem CID 26880556) has the molecular formula C22H28N2O3S and a molecular weight of 400.54 g/mol. Its IUPAC name is N-(2,6-diethylphenyl)-3-piperidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-(2,6-diethylphenyl)-3-piperidin-1-ylsulfonylbenzamide
PubChem CID26880556
Molecular FormulaC22H28N2O3S
Molecular Weight400.54 g/mol
Exact Mass400.18
IUPAC NameN-(2,6-diethylphenyl)-3-piperidin-1-ylsulfonylbenzamide
SMILESCCc1cccc(CC)c1NC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C22H28N2O3S/c1-3-17-10-8-11-18(4-2)21(17)23-22(25)19-12-9-13-20(16-19)28(26,27)24-14-6-5-7-15-24/h8-13,16H,3-7,14-15H2,1-2H3,(H,23,25)
InChIKeyUNIMNXMLIZIOQW-UHFFFAOYSA-N
XLogP4.24
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.54
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(azepan-1-ylsulfonyl)-N-(2-chloro-4,6-dimethylphenyl)benzamide
CID 26200446
N-(3-acetylphenyl)-3-piperidin-1-ylsulfonylbenzamide
CID 2711494
N-[(2R)-butan-2-yl]-3-piperidin-1-ylsulfonylbenzamide
CID 34269316
3-(azepan-1-ylsulfonyl)-N-(3-methylsulfonylphenyl)benzamide
CID 26722877
3-pyrrolidin-1-ylsulfonyl-N-(2,4,6-trimethyl-3-pyridinyl)benzamide
CID 78838796
3-[(3-piperidin-1-ylsulfonylbenzoyl)amino]benzoic acid
CID 3242230
5-(azepan-1-ylsulfonyl)-2-chloro-N-(2-ethyl-6-methylphenyl)benzamide
CID 28590817
N-ethyl-2-[(3-piperidin-1-ylsulfonylbenzoyl)amino]benzamide
CID 3266532
N-[2-(ethylamino)ethyl]-3-piperidin-1-ylsulfonylbenzamide
CID 119508393
N-(2-amino-2-ethylbutyl)-3-(azepan-1-ylsulfonyl)benzamide
CID 119640716
N-(4-butan-2-ylphenyl)-3-pyrrolidin-1-ylsulfonylbenzamide
CID 17226901
3-(azepan-1-ylsulfonyl)-N-(4-carbamoylphenyl)benzamide
CID 4851259

Frequently Asked Questions

What is the IUPAC name of N-(2,6-diethylphenyl)-3-piperidin-1-ylsulfonylbenzamide?
The IUPAC name of N-(2,6-diethylphenyl)-3-piperidin-1-ylsulfonylbenzamide (CID 26880556) is N-(2,6-diethylphenyl)-3-piperidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-(2,6-diethylphenyl)-3-piperidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-(2,6-diethylphenyl)-3-piperidin-1-ylsulfonylbenzamide is CCc1cccc(CC)c1NC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1.
What is the InChIKey of N-(2,6-diethylphenyl)-3-piperidin-1-ylsulfonylbenzamide?
The InChIKey is UNIMNXMLIZIOQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O3S/c1-3-17-10-8-11-18(4-2)21(17)23-22(25)19-12-9-13-20(16-19)28(26,27)24-14-6-5-7-15-24/h8-13,16H,3-7,14-15H2,1-2H3,(H,23,25).
What are the key properties of N-(2,6-diethylphenyl)-3-piperidin-1-ylsulfonylbenzamide?
N-(2,6-diethylphenyl)-3-piperidin-1-ylsulfonylbenzamide has a molecular weight of 400.54 g/mol, XLogP of 4.24, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-diethylphenyl)-3-piperidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 26880556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).