N-[1-(4-propylphenyl)sulfonylpiperidin-4-yl]benzamide

C21H26N2O3S — CID 51294911

IUPACN-[1-(4-propylphenyl)sulfonylpiperidin-4-yl]benzamide
SMILESCCCc1ccc(S(=O)(=O)N2CCC(NC(=O)c3ccccc3)CC2)cc1
InChIInChI=1S/C21H26N2O3S/c1-2-6-17-9-11-20(12-10-17)27(25,26)23-15-13-19(14-16-23)22-21(24)18-7-4-3-5-8-18/h3-5,7-12,19H,2,6,13-16H2,1H3,(H,22,24)
InChIKeyZIIGHHNLSSFJNP-UHFFFAOYSA-N
MW386.52 g/mol
LogP3.22
Rot. Bonds6

About N-[1-(4-propylphenyl)sulfonylpiperidin-4-yl]benzamide

N-[1-(4-propylphenyl)sulfonylpiperidin-4-yl]benzamide (PubChem CID 51294911) has the molecular formula C21H26N2O3S and a molecular weight of 386.52 g/mol. Its IUPAC name is N-[1-(4-propylphenyl)sulfonylpiperidin-4-yl]benzamide.

Molecular Properties

Compound NameN-[1-(4-propylphenyl)sulfonylpiperidin-4-yl]benzamide
PubChem CID51294911
Molecular FormulaC21H26N2O3S
Molecular Weight386.52 g/mol
Exact Mass386.17
IUPAC NameN-[1-(4-propylphenyl)sulfonylpiperidin-4-yl]benzamide
SMILESCCCc1ccc(S(=O)(=O)N2CCC(NC(=O)c3ccccc3)CC2)cc1
InChIInChI=1S/C21H26N2O3S/c1-2-6-17-9-11-20(12-10-17)27(25,26)23-15-13-19(14-16-23)22-21(24)18-7-4-3-5-8-18/h3-5,7-12,19H,2,6,13-16H2,1H3,(H,22,24)
InChIKeyZIIGHHNLSSFJNP-UHFFFAOYSA-N
XLogP3.22
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.52
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(benzenesulfonyl)-1-(4-propylphenyl)sulfonylpiperidine
CID 90589463
N-[1-(benzenesulfonyl)piperidin-4-yl]butanamide
CID 61073647
N-[1-(4-ethylphenyl)sulfonylpiperidin-4-yl]-3,5-dihydroxybenzamide
CID 108562882
N-(1-ethylpiperidin-4-yl)-4-pyrrolidin-1-ylsulfonylbenzamide
CID 9091107
4-methyl-1-(4-propylphenyl)sulfonylpiperidine
CID 17375841
N-[2-[4-(azepan-1-ylsulfonyl)phenyl]ethyl]benzamide
CID 108736469
N-[2-[[1-(4-ethoxyphenyl)sulfonylpiperidin-4-yl]amino]-2-oxoethyl]benzamide
CID 108559760
N-[1-(4-tert-butylphenyl)sulfonylpiperidin-4-yl]-3-methylbenzamide
CID 108561824
4-(4-acetylpiperazin-1-yl)sulfonyl-N-(1-propylpiperidin-4-yl)benzamide
CID 55407115
N-[1-(4-ethylphenyl)sulfonylpiperidin-4-yl]-3-phenoxypropanamide
CID 108561671
N-[1-(4-ethylphenyl)sulfonylpiperidin-4-yl]-3,4-dimethoxybenzamide
CID 108559133
N-(2-phenylethyl)-4-[4-(prop-2-enoylamino)azepan-1-yl]sulfonylbenzamide
CID 89236369

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-propylphenyl)sulfonylpiperidin-4-yl]benzamide?
The IUPAC name of N-[1-(4-propylphenyl)sulfonylpiperidin-4-yl]benzamide (CID 51294911) is N-[1-(4-propylphenyl)sulfonylpiperidin-4-yl]benzamide.
What is the SMILES notation for N-[1-(4-propylphenyl)sulfonylpiperidin-4-yl]benzamide?
The canonical SMILES for N-[1-(4-propylphenyl)sulfonylpiperidin-4-yl]benzamide is CCCc1ccc(S(=O)(=O)N2CCC(NC(=O)c3ccccc3)CC2)cc1.
What is the InChIKey of N-[1-(4-propylphenyl)sulfonylpiperidin-4-yl]benzamide?
The InChIKey is ZIIGHHNLSSFJNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3S/c1-2-6-17-9-11-20(12-10-17)27(25,26)23-15-13-19(14-16-23)22-21(24)18-7-4-3-5-8-18/h3-5,7-12,19H,2,6,13-16H2,1H3,(H,22,24).
What are the key properties of N-[1-(4-propylphenyl)sulfonylpiperidin-4-yl]benzamide?
N-[1-(4-propylphenyl)sulfonylpiperidin-4-yl]benzamide has a molecular weight of 386.52 g/mol, XLogP of 3.22, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-propylphenyl)sulfonylpiperidin-4-yl]benzamide is sourced from PubChem (CID 51294911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).