N-[1-[2-(4-methoxyphenoxy)propanoyl]piperidin-4-yl]benzenesulfonamide

C21H26N2O5S — CID 55504753

IUPACN-[1-[2-(4-methoxyphenoxy)propanoyl]piperidin-4-yl]benzenesulfonamide
SMILESCOc1ccc(OC(C)C(=O)N2CCC(NS(=O)(=O)c3ccccc3)CC2)cc1
InChIInChI=1S/C21H26N2O5S/c1-16(28-19-10-8-18(27-2)9-11-19)21(24)23-14-12-17(13-15-23)22-29(25,26)20-6-4-3-5-7-20/h3-11,16-17,22H,12-15H2,1-2H3
InChIKeyMDGXCMGETNRMKL-UHFFFAOYSA-N
MW418.52 g/mol
LogP2.43
Rot. Bonds7

About N-[1-[2-(4-methoxyphenoxy)propanoyl]piperidin-4-yl]benzenesulfonamide

N-[1-[2-(4-methoxyphenoxy)propanoyl]piperidin-4-yl]benzenesulfonamide (PubChem CID 55504753) has the molecular formula C21H26N2O5S and a molecular weight of 418.52 g/mol. Its IUPAC name is N-[1-[2-(4-methoxyphenoxy)propanoyl]piperidin-4-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-[1-[2-(4-methoxyphenoxy)propanoyl]piperidin-4-yl]benzenesulfonamide
PubChem CID55504753
Molecular FormulaC21H26N2O5S
Molecular Weight418.52 g/mol
Exact Mass418.16
IUPAC NameN-[1-[2-(4-methoxyphenoxy)propanoyl]piperidin-4-yl]benzenesulfonamide
SMILESCOc1ccc(OC(C)C(=O)N2CCC(NS(=O)(=O)c3ccccc3)CC2)cc1
InChIInChI=1S/C21H26N2O5S/c1-16(28-19-10-8-18(27-2)9-11-19)21(24)23-14-12-17(13-15-23)22-29(25,26)20-6-4-3-5-7-20/h3-11,16-17,22H,12-15H2,1-2H3
InChIKeyMDGXCMGETNRMKL-UHFFFAOYSA-N
XLogP2.43
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.52
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methoxy-N-[1-(2-phenoxypropanoyl)piperidin-4-yl]benzenesulfonamide
CID 50823767
N-[1-[2-(4-propan-2-ylphenoxy)propanoyl]piperidin-4-yl]benzenesulfonamide
CID 108565261
2-(4-methoxyphenoxy)-1-[4-(methylamino)piperidin-1-yl]propan-1-one;hydrochloride
CID 119563255
N-[1-[2-(2,3-dichlorophenoxy)propanoyl]piperidin-4-yl]benzenesulfonamide
CID 55690364
N-cyclohexyl-4-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]oxybenzenesulfonamide
CID 92513123
N-[1-[2-(3,4-dichlorophenoxy)propanoyl]piperidin-4-yl]-4-fluorobenzenesulfonamide
CID 55850395
N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-4-methoxybenzenesulfonamide
CID 50823745
N-[1-(2-amino-3-methoxypropanoyl)piperidin-4-yl]benzenesulfonamide;hydrochloride
CID 120984468
4-methoxy-N-(1-propanoylpiperidin-4-yl)benzenesulfonamide
CID 110819170
1-[4-(methylamino)piperidin-1-yl]-2-(4-phenylphenoxy)propan-1-one;hydrochloride
CID 119563868
(2R)-2-(4-methoxyphenoxy)-1-(4-pyrrol-1-ylpiperidin-1-yl)propan-1-one
CID 95148539
2-[1-[2-(4-methoxyphenoxy)propanoyl]piperidin-4-yl]acetic acid
CID 119178547

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(4-methoxyphenoxy)propanoyl]piperidin-4-yl]benzenesulfonamide?
The IUPAC name of N-[1-[2-(4-methoxyphenoxy)propanoyl]piperidin-4-yl]benzenesulfonamide (CID 55504753) is N-[1-[2-(4-methoxyphenoxy)propanoyl]piperidin-4-yl]benzenesulfonamide.
What is the SMILES notation for N-[1-[2-(4-methoxyphenoxy)propanoyl]piperidin-4-yl]benzenesulfonamide?
The canonical SMILES for N-[1-[2-(4-methoxyphenoxy)propanoyl]piperidin-4-yl]benzenesulfonamide is COc1ccc(OC(C)C(=O)N2CCC(NS(=O)(=O)c3ccccc3)CC2)cc1.
What is the InChIKey of N-[1-[2-(4-methoxyphenoxy)propanoyl]piperidin-4-yl]benzenesulfonamide?
The InChIKey is MDGXCMGETNRMKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O5S/c1-16(28-19-10-8-18(27-2)9-11-19)21(24)23-14-12-17(13-15-23)22-29(25,26)20-6-4-3-5-7-20/h3-11,16-17,22H,12-15H2,1-2H3.
What are the key properties of N-[1-[2-(4-methoxyphenoxy)propanoyl]piperidin-4-yl]benzenesulfonamide?
N-[1-[2-(4-methoxyphenoxy)propanoyl]piperidin-4-yl]benzenesulfonamide has a molecular weight of 418.52 g/mol, XLogP of 2.43, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(4-methoxyphenoxy)propanoyl]piperidin-4-yl]benzenesulfonamide is sourced from PubChem (CID 55504753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).