N-[1-(4-ethoxybenzoyl)piperidin-4-yl]-4-methylbenzenesulfonamide

C21H26N2O4S — CID 17497600

IUPACN-[1-(4-ethoxybenzoyl)piperidin-4-yl]-4-methylbenzenesulfonamide
SMILESCCOc1ccc(C(=O)N2CCC(NS(=O)(=O)c3ccc(C)cc3)CC2)cc1
InChIInChI=1S/C21H26N2O4S/c1-3-27-19-8-6-17(7-9-19)21(24)23-14-12-18(13-15-23)22-28(25,26)20-10-4-16(2)5-11-20/h4-11,18,22H,3,12-15H2,1-2H3
InChIKeyKDRBXFNLLHGRIR-UHFFFAOYSA-N
MW402.52 g/mol
LogP2.98
Rot. Bonds6

About N-[1-(4-ethoxybenzoyl)piperidin-4-yl]-4-methylbenzenesulfonamide

N-[1-(4-ethoxybenzoyl)piperidin-4-yl]-4-methylbenzenesulfonamide (PubChem CID 17497600) has the molecular formula C21H26N2O4S and a molecular weight of 402.52 g/mol. Its IUPAC name is N-[1-(4-ethoxybenzoyl)piperidin-4-yl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[1-(4-ethoxybenzoyl)piperidin-4-yl]-4-methylbenzenesulfonamide
PubChem CID17497600
Molecular FormulaC21H26N2O4S
Molecular Weight402.52 g/mol
Exact Mass402.16
IUPAC NameN-[1-(4-ethoxybenzoyl)piperidin-4-yl]-4-methylbenzenesulfonamide
SMILESCCOc1ccc(C(=O)N2CCC(NS(=O)(=O)c3ccc(C)cc3)CC2)cc1
InChIInChI=1S/C21H26N2O4S/c1-3-27-19-8-6-17(7-9-19)21(24)23-14-12-18(13-15-23)22-28(25,26)20-10-4-16(2)5-11-20/h4-11,18,22H,3,12-15H2,1-2H3
InChIKeyKDRBXFNLLHGRIR-UHFFFAOYSA-N
XLogP2.98
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.52
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]-4-ethoxybenzenesulfonamide
CID 108563446
4-ethoxy-N-[1-(2-methylpropanoyl)piperidin-4-yl]benzenesulfonamide
CID 35402103
N-[1-(4-ethoxybenzoyl)piperidin-4-yl]-2-methoxy-4,5-dimethylbenzenesulfonamide
CID 108564642
4-ethoxy-N-[1-(pyrazine-2-carbonyl)piperidin-4-yl]benzenesulfonamide
CID 108566859
4-ethoxy-N-(1-ethylpiperidin-4-yl)benzenesulfonamide
CID 22772564
N-[1-[2-(4-fluorophenoxy)acetyl]piperidin-4-yl]-4-methylbenzenesulfonamide
CID 50823739
4-methyl-N-[1-(3,4,5-trihydroxybenzoyl)piperidin-4-yl]benzenesulfonamide
CID 108564412
4-chloro-N-[1-[2-(4-ethoxyphenyl)acetyl]piperidin-4-yl]benzenesulfonamide
CID 108565571
N-cyclopropyl-4-[4-(ethylaminomethyl)piperidine-1-carbonyl]benzenesulfonamide;hydrochloride
CID 119646580
N-[4-[[1-(4-methoxybenzoyl)piperidin-4-yl]sulfamoyl]phenyl]acetamide
CID 108563478
4-methoxy-N-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]benzenesulfonamide
CID 50823789
N-[1-(2,4-dimethylbenzoyl)piperidin-4-yl]-4-methoxybenzenesulfonamide
CID 50823683

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-ethoxybenzoyl)piperidin-4-yl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[1-(4-ethoxybenzoyl)piperidin-4-yl]-4-methylbenzenesulfonamide (CID 17497600) is N-[1-(4-ethoxybenzoyl)piperidin-4-yl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[1-(4-ethoxybenzoyl)piperidin-4-yl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[1-(4-ethoxybenzoyl)piperidin-4-yl]-4-methylbenzenesulfonamide is CCOc1ccc(C(=O)N2CCC(NS(=O)(=O)c3ccc(C)cc3)CC2)cc1.
What is the InChIKey of N-[1-(4-ethoxybenzoyl)piperidin-4-yl]-4-methylbenzenesulfonamide?
The InChIKey is KDRBXFNLLHGRIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O4S/c1-3-27-19-8-6-17(7-9-19)21(24)23-14-12-18(13-15-23)22-28(25,26)20-10-4-16(2)5-11-20/h4-11,18,22H,3,12-15H2,1-2H3.
What are the key properties of N-[1-(4-ethoxybenzoyl)piperidin-4-yl]-4-methylbenzenesulfonamide?
N-[1-(4-ethoxybenzoyl)piperidin-4-yl]-4-methylbenzenesulfonamide has a molecular weight of 402.52 g/mol, XLogP of 2.98, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-ethoxybenzoyl)piperidin-4-yl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 17497600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).