N-(4-ethylphenyl)-4-piperidin-1-ylsulfonylbenzamide

C20H24N2O3S — CID 26697285

IUPACN-(4-ethylphenyl)-4-piperidin-1-ylsulfonylbenzamide
SMILESCCc1ccc(NC(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1
InChIInChI=1S/C20H24N2O3S/c1-2-16-6-10-18(11-7-16)21-20(23)17-8-12-19(13-9-17)26(24,25)22-14-4-3-5-15-22/h6-13H,2-5,14-15H2,1H3,(H,21,23)
InChIKeyAHIDPTBBJPQUJH-UHFFFAOYSA-N
MW372.49 g/mol
LogP3.68
Rot. Bonds5

About N-(4-ethylphenyl)-4-piperidin-1-ylsulfonylbenzamide

N-(4-ethylphenyl)-4-piperidin-1-ylsulfonylbenzamide (PubChem CID 26697285) has the molecular formula C20H24N2O3S and a molecular weight of 372.49 g/mol. Its IUPAC name is N-(4-ethylphenyl)-4-piperidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-4-piperidin-1-ylsulfonylbenzamide
PubChem CID26697285
Molecular FormulaC20H24N2O3S
Molecular Weight372.49 g/mol
Exact Mass372.15
IUPAC NameN-(4-ethylphenyl)-4-piperidin-1-ylsulfonylbenzamide
SMILESCCc1ccc(NC(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1
InChIInChI=1S/C20H24N2O3S/c1-2-16-6-10-18(11-7-16)21-20(23)17-8-12-19(13-9-17)26(24,25)22-14-4-3-5-15-22/h6-13H,2-5,14-15H2,1H3,(H,21,23)
InChIKeyAHIDPTBBJPQUJH-UHFFFAOYSA-N
XLogP3.68
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-N,4-N-bis[4-(azepan-1-ylsulfonyl)phenyl]benzene-1,4-dicarboxamide
CID 5167539
4-pyrrolidin-1-ylsulfonyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 26252425
N-(4-butylphenyl)-4-pyrrolidin-1-ylsulfonylbenzamide
CID 8961050
4-(azepan-1-ylsulfonyl)-N-[4-[4-[[4-(azepan-1-ylsulfonyl)benzoyl]amino]phenyl]phenyl]benzamide
CID 3537523
N-[4-(azepan-1-ylsulfonyl)phenyl]-4-[(4-ethylsulfonylpiperazin-1-yl)methyl]benzamide
CID 43925178
N-(4-acetylphenyl)-4-pyrrolidin-1-ylsulfonylbenzamide
CID 650028
4-(methanesulfonamido)-N-(4-piperidin-1-ylsulfonylphenyl)benzamide
CID 2978605
N-[4-[(2R)-butan-2-yl]phenyl]-4-piperidin-1-ylsulfonylbenzamide
CID 7935734
N-(4-fluorophenyl)-4-piperidin-1-ylsulfonylbenzamide
CID 2704882
N-(4-piperidin-1-ylsulfonylphenyl)-4-propoxybenzamide
CID 4938402
4-(methanesulfonamido)-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 2976948
N-[4-(azepan-1-ylsulfonyl)phenyl]-4-(morpholin-4-ylmethyl)benzamide
CID 126320858

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-4-piperidin-1-ylsulfonylbenzamide?
The IUPAC name of N-(4-ethylphenyl)-4-piperidin-1-ylsulfonylbenzamide (CID 26697285) is N-(4-ethylphenyl)-4-piperidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-(4-ethylphenyl)-4-piperidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-(4-ethylphenyl)-4-piperidin-1-ylsulfonylbenzamide is CCc1ccc(NC(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1.
What is the InChIKey of N-(4-ethylphenyl)-4-piperidin-1-ylsulfonylbenzamide?
The InChIKey is AHIDPTBBJPQUJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3S/c1-2-16-6-10-18(11-7-16)21-20(23)17-8-12-19(13-9-17)26(24,25)22-14-4-3-5-15-22/h6-13H,2-5,14-15H2,1H3,(H,21,23).
What are the key properties of N-(4-ethylphenyl)-4-piperidin-1-ylsulfonylbenzamide?
N-(4-ethylphenyl)-4-piperidin-1-ylsulfonylbenzamide has a molecular weight of 372.49 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-4-piperidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 26697285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).