N-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]-4-ethoxybenzenesulfonamide

C23H30N2O4S — CID 24818109

IUPACN-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]-4-ethoxybenzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)NCCC(=O)N2CCC(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C23H30N2O4S/c1-2-29-21-8-10-22(11-9-21)30(27,28)24-15-12-23(26)25-16-13-20(14-17-25)18-19-6-4-3-5-7-19/h3-11,20,24H,2,12-18H2,1H3
InChIKeySSNPXZWYUVNKAH-UHFFFAOYSA-N
MW430.57 g/mol
LogP3.23
Rot. Bonds9

About N-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]-4-ethoxybenzenesulfonamide

N-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]-4-ethoxybenzenesulfonamide (PubChem CID 24818109) has the molecular formula C23H30N2O4S and a molecular weight of 430.57 g/mol. Its IUPAC name is N-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]-4-ethoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]-4-ethoxybenzenesulfonamide
PubChem CID24818109
Molecular FormulaC23H30N2O4S
Molecular Weight430.57 g/mol
Exact Mass430.19
IUPAC NameN-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]-4-ethoxybenzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)NCCC(=O)N2CCC(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C23H30N2O4S/c1-2-29-21-8-10-22(11-9-21)30(27,28)24-15-12-23(26)25-16-13-20(14-17-25)18-19-6-4-3-5-7-19/h3-11,20,24H,2,12-18H2,1H3
InChIKeySSNPXZWYUVNKAH-UHFFFAOYSA-N
XLogP3.23
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.57
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-Hydroxy-1-(4-Methoxyphenyl)Sulfonyl-4-Benzyloxycarbonyl-Piperazine-2-Carboxamide
CID 5289389
N-(3-{[3-(4-Benzyl-phenoxy)-propyl]-methyl-amino}-propionyl)-benzenesulfonamide
CID 9804586
{(S)-3-Methyl-1-[3-oxo-1-(4-phenoxy-benzenesulfonyl)-piperidin-4-ylcarbamoyl]-butyl}-carbamic acid benzyl ester
CID 10461097
Benzenesulfonamide, N-[(2S)-3-[(2R,5S)-2-(2-aminoethyl)-3-oxo-5-(phenylmethyl)-4-morpholinyl]-2-hydroxypropyl]-N-(cyclopentylmethyl)-4-methoxy-
CID 16074387
(S)-3-(4-benzyloxybenzenesulfonylamino)-N-hydroxy-2-piperidin-1-ylpropionamide
CID 49854306
(2S)-3-[[4-[(4-fluorophenyl)methoxy]phenyl]sulfonylamino]-N-hydroxy-2-piperidin-1-ylpropanamide
CID 49854406
N-{[1-(cyclopentylcarbonyl)-3-piperidinyl]methyl}-4-methoxybenzenesulfonamide
CID 16189375
(2S,3R)-4-acetyl-N-(allyloxy)-3-methyl-1-(4-(4-methylbenzyloxy)phenylsulfonyl)piperazine-2-carboxamide
CID 44564505
4-fluoro-N-[1-[3-(2-propan-2-ylphenoxy)propyl]piperidin-4-yl]benzenesulfonamide
CID 145974189
(3R)-N-[(2S,3R)-3-hydroxy-4-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]-1-phenylbutan-2-yl]-1-methylpiperidine-3-carboxamide
CID 164619121
N-[(2S,3R)-3-hydroxy-4-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]-1-phenylbutan-2-yl]piperidine-4-carboxamide
CID 164626038
(3R)-N-[(2S,3R)-3-hydroxy-4-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]-1-phenylbutan-2-yl]piperidine-3-carboxamide
CID 164626858

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]-4-ethoxybenzenesulfonamide?
The IUPAC name of N-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]-4-ethoxybenzenesulfonamide (CID 24818109) is N-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]-4-ethoxybenzenesulfonamide.
What is the SMILES notation for N-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]-4-ethoxybenzenesulfonamide?
The canonical SMILES for N-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]-4-ethoxybenzenesulfonamide is CCOc1ccc(S(=O)(=O)NCCC(=O)N2CCC(Cc3ccccc3)CC2)cc1.
What is the InChIKey of N-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]-4-ethoxybenzenesulfonamide?
The InChIKey is SSNPXZWYUVNKAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O4S/c1-2-29-21-8-10-22(11-9-21)30(27,28)24-15-12-23(26)25-16-13-20(14-17-25)18-19-6-4-3-5-7-19/h3-11,20,24H,2,12-18H2,1H3.
What are the key properties of N-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]-4-ethoxybenzenesulfonamide?
N-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]-4-ethoxybenzenesulfonamide has a molecular weight of 430.57 g/mol, XLogP of 3.23, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]-4-ethoxybenzenesulfonamide is sourced from PubChem (CID 24818109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).