N-[2-(4-chlorophenyl)ethenylsulfonyl]-4-[2-(4-methoxyphenyl)ethyl]piperidine-1-carboxamide

C23H27ClN2O4S — CID 54482389

IUPACN-[2-(4-chlorophenyl)ethenylsulfonyl]-4-[2-(4-methoxyphenyl)ethyl]piperidine-1-carboxamide
SMILESCOc1ccc(CCC2CCN(C(=O)NS(=O)(=O)C=Cc3ccc(Cl)cc3)CC2)cc1
InChIInChI=1S/C23H27ClN2O4S/c1-30-22-10-6-18(7-11-22)2-3-20-12-15-26(16-13-20)23(27)25-31(28,29)17-14-19-4-8-21(24)9-5-19/h4-11,14,17,20H,2-3,12-13,15-16H2,1H3,(H,25,27)
InChIKeyXPXOVGZSAYFGOQ-UHFFFAOYSA-N
MW463.00 g/mol
LogP4.70
Rot. Bonds7

About N-[2-(4-chlorophenyl)ethenylsulfonyl]-4-[2-(4-methoxyphenyl)ethyl]piperidine-1-carboxamide

N-[2-(4-chlorophenyl)ethenylsulfonyl]-4-[2-(4-methoxyphenyl)ethyl]piperidine-1-carboxamide (PubChem CID 54482389) has the molecular formula C23H27ClN2O4S and a molecular weight of 463.00 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethenylsulfonyl]-4-[2-(4-methoxyphenyl)ethyl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethenylsulfonyl]-4-[2-(4-methoxyphenyl)ethyl]piperidine-1-carboxamide
PubChem CID54482389
Molecular FormulaC23H27ClN2O4S
Molecular Weight463.00 g/mol
Exact Mass462.14
IUPAC NameN-[2-(4-chlorophenyl)ethenylsulfonyl]-4-[2-(4-methoxyphenyl)ethyl]piperidine-1-carboxamide
SMILESCOc1ccc(CCC2CCN(C(=O)NS(=O)(=O)C=Cc3ccc(Cl)cc3)CC2)cc1
InChIInChI=1S/C23H27ClN2O4S/c1-30-22-10-6-18(7-11-22)2-3-20-12-15-26(16-13-20)23(27)25-31(28,29)17-14-19-4-8-21(24)9-5-19/h4-11,14,17,20H,2-3,12-13,15-16H2,1H3,(H,25,27)
InChIKeyXPXOVGZSAYFGOQ-UHFFFAOYSA-N
XLogP4.70
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.00
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-(4-methoxyphenyl)ethyl]pyrrolidine-1-carboxylic acid
CID 69258628
4-[2-(4-methoxyphenyl)ethyl]-1-pyrrolidin-1-ylsulfonylpiperidine
CID 134017737
[4-(aminomethyl)oxan-4-yl]-[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]methanone
CID 120920469
4-[4-[2-(4-methoxyphenyl)ethyl]piperidine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 146129180
tert-butyl N-[1-[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]-1-oxopropan-2-yl]carbamate
CID 55560757
N-ethyl-4-[4-[2-(4-methoxyphenyl)ethyl]piperidine-1-carbonyl]benzenesulfonamide
CID 46808163
[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]-(3-morpholin-4-ylsulfonylthiophen-2-yl)methanone
CID 55519032
N-[2-(4-chlorophenyl)ethyl]-4-(4-methoxyphenyl)piperazine-1-carboxamide
CID 108989697
1-[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]-4-(4-methylphenyl)butane-1,4-dione
CID 55465062
3,4-dimethoxy-N-[3-[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]-3-oxopropyl]benzenesulfonamide
CID 46669645
4-[2-(4-chlorophenyl)ethyl]-N-[(4-methoxyphenyl)methyl]piperazine-1-carboxamide
CID 113108177
(2,4-dimethyl-1,3-thiazol-5-yl)-[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]methanone
CID 55481734

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethenylsulfonyl]-4-[2-(4-methoxyphenyl)ethyl]piperidine-1-carboxamide?
The IUPAC name of N-[2-(4-chlorophenyl)ethenylsulfonyl]-4-[2-(4-methoxyphenyl)ethyl]piperidine-1-carboxamide (CID 54482389) is N-[2-(4-chlorophenyl)ethenylsulfonyl]-4-[2-(4-methoxyphenyl)ethyl]piperidine-1-carboxamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethenylsulfonyl]-4-[2-(4-methoxyphenyl)ethyl]piperidine-1-carboxamide?
The canonical SMILES for N-[2-(4-chlorophenyl)ethenylsulfonyl]-4-[2-(4-methoxyphenyl)ethyl]piperidine-1-carboxamide is COc1ccc(CCC2CCN(C(=O)NS(=O)(=O)C=Cc3ccc(Cl)cc3)CC2)cc1.
What is the InChIKey of N-[2-(4-chlorophenyl)ethenylsulfonyl]-4-[2-(4-methoxyphenyl)ethyl]piperidine-1-carboxamide?
The InChIKey is XPXOVGZSAYFGOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27ClN2O4S/c1-30-22-10-6-18(7-11-22)2-3-20-12-15-26(16-13-20)23(27)25-31(28,29)17-14-19-4-8-21(24)9-5-19/h4-11,14,17,20H,2-3,12-13,15-16H2,1H3,(H,25,27).
What are the key properties of N-[2-(4-chlorophenyl)ethenylsulfonyl]-4-[2-(4-methoxyphenyl)ethyl]piperidine-1-carboxamide?
N-[2-(4-chlorophenyl)ethenylsulfonyl]-4-[2-(4-methoxyphenyl)ethyl]piperidine-1-carboxamide has a molecular weight of 463.00 g/mol, XLogP of 4.70, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)ethenylsulfonyl]-4-[2-(4-methoxyphenyl)ethyl]piperidine-1-carboxamide is sourced from PubChem (CID 54482389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).