(E)-N-(1-benzylpiperidin-4-yl)-2-(4-methylphenyl)ethenesulfonamide

C21H26N2O2S — CID 134025652

IUPAC(E)-N-(1-benzylpiperidin-4-yl)-2-(4-methylphenyl)ethenesulfonamide
SMILESCc1ccc(/C=C/S(=O)(=O)NC2CCN(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C21H26N2O2S/c1-18-7-9-19(10-8-18)13-16-26(24,25)22-21-11-14-23(15-12-21)17-20-5-3-2-4-6-20/h2-10,13,16,21-22H,11-12,14-15,17H2,1H3/b16-13+
InChIKeyNFPRFAHDSQIUSD-DTQAZKPQSA-N
MW370.52 g/mol
LogP3.55
Rot. Bonds6

About (E)-N-(1-benzylpiperidin-4-yl)-2-(4-methylphenyl)ethenesulfonamide

(E)-N-(1-benzylpiperidin-4-yl)-2-(4-methylphenyl)ethenesulfonamide (PubChem CID 134025652) has the molecular formula C21H26N2O2S and a molecular weight of 370.52 g/mol. Its IUPAC name is (E)-N-(1-benzylpiperidin-4-yl)-2-(4-methylphenyl)ethenesulfonamide.

Molecular Properties

Compound Name(E)-N-(1-benzylpiperidin-4-yl)-2-(4-methylphenyl)ethenesulfonamide
PubChem CID134025652
Molecular FormulaC21H26N2O2S
Molecular Weight370.52 g/mol
Exact Mass370.17
IUPAC Name(E)-N-(1-benzylpiperidin-4-yl)-2-(4-methylphenyl)ethenesulfonamide
SMILESCc1ccc(/C=C/S(=O)(=O)NC2CCN(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C21H26N2O2S/c1-18-7-9-19(10-8-18)13-16-26(24,25)22-21-11-14-23(15-12-21)17-20-5-3-2-4-6-20/h2-10,13,16,21-22H,11-12,14-15,17H2,1H3/b16-13+
InChIKeyNFPRFAHDSQIUSD-DTQAZKPQSA-N
XLogP3.55
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.52
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[[(E)-2-(4-methylphenyl)ethenyl]sulfonylamino]piperidin-1-yl]acetamide
CID 56797547
1-benzyl-4-(dimethylsulfamoylamino)piperidine
CID 11044707
(E)-N-[1-(cyclopentylmethyl)piperidin-4-yl]-2-phenylethenesulfonamide
CID 75364443
(Z)-N-cyclohexyl-2-phenylethenesulfonamide
CID 2458985
N-(1-benzylpiperidin-4-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 5308247
1-benzyl-N-methylpiperidin-4-amine
CID 4136128
1-benzyl-N-[[4-(2-phenylethenyl)phenyl]methyl]piperidin-4-amine
CID 70166037
1-benzyl-N-[[4-[(E)-2-phenylethenyl]phenyl]methyl]piperidin-4-amine
CID 10177971
N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]cyclopropanesulfonamide
CID 146074496
N-methyl-1-[(4-methylphenyl)methyl]piperidin-4-amine
CID 43315345
N-(1-benzylpiperidin-4-yl)-3-methoxy-2-methylpropane-1-sulfonamide
CID 136532330
N-(1-benzylpiperidin-4-yl)-3-(4-methylphenyl)sulfonylpropanamide
CID 9165150

Frequently Asked Questions

What is the IUPAC name of (E)-N-(1-benzylpiperidin-4-yl)-2-(4-methylphenyl)ethenesulfonamide?
The IUPAC name of (E)-N-(1-benzylpiperidin-4-yl)-2-(4-methylphenyl)ethenesulfonamide (CID 134025652) is (E)-N-(1-benzylpiperidin-4-yl)-2-(4-methylphenyl)ethenesulfonamide.
What is the SMILES notation for (E)-N-(1-benzylpiperidin-4-yl)-2-(4-methylphenyl)ethenesulfonamide?
The canonical SMILES for (E)-N-(1-benzylpiperidin-4-yl)-2-(4-methylphenyl)ethenesulfonamide is Cc1ccc(/C=C/S(=O)(=O)NC2CCN(Cc3ccccc3)CC2)cc1.
What is the InChIKey of (E)-N-(1-benzylpiperidin-4-yl)-2-(4-methylphenyl)ethenesulfonamide?
The InChIKey is NFPRFAHDSQIUSD-DTQAZKPQSA-N. The full InChI is InChI=1S/C21H26N2O2S/c1-18-7-9-19(10-8-18)13-16-26(24,25)22-21-11-14-23(15-12-21)17-20-5-3-2-4-6-20/h2-10,13,16,21-22H,11-12,14-15,17H2,1H3/b16-13+.
What are the key properties of (E)-N-(1-benzylpiperidin-4-yl)-2-(4-methylphenyl)ethenesulfonamide?
(E)-N-(1-benzylpiperidin-4-yl)-2-(4-methylphenyl)ethenesulfonamide has a molecular weight of 370.52 g/mol, XLogP of 3.55, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(1-benzylpiperidin-4-yl)-2-(4-methylphenyl)ethenesulfonamide is sourced from PubChem (CID 134025652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).