ethyl 1-[4-[benzenesulfonyl(methyl)amino]benzoyl]piperidine-4-carboxylate

C22H26N2O5S — CID 23761964

IUPACethyl 1-[4-[benzenesulfonyl(methyl)amino]benzoyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)c2ccc(N(C)S(=O)(=O)c3ccccc3)cc2)CC1
InChIInChI=1S/C22H26N2O5S/c1-3-29-22(26)18-13-15-24(16-14-18)21(25)17-9-11-19(12-10-17)23(2)30(27,28)20-7-5-4-6-8-20/h4-12,18H,3,13-16H2,1-2H3
InChIKeyCCTQDOZRQDVYRX-UHFFFAOYSA-N
MW430.53 g/mol
LogP2.93
Rot. Bonds6

About ethyl 1-[4-[benzenesulfonyl(methyl)amino]benzoyl]piperidine-4-carboxylate

ethyl 1-[4-[benzenesulfonyl(methyl)amino]benzoyl]piperidine-4-carboxylate (PubChem CID 23761964) has the molecular formula C22H26N2O5S and a molecular weight of 430.53 g/mol. Its IUPAC name is ethyl 1-[4-[benzenesulfonyl(methyl)amino]benzoyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[4-[benzenesulfonyl(methyl)amino]benzoyl]piperidine-4-carboxylate
PubChem CID23761964
Molecular FormulaC22H26N2O5S
Molecular Weight430.53 g/mol
Exact Mass430.16
IUPAC Nameethyl 1-[4-[benzenesulfonyl(methyl)amino]benzoyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)c2ccc(N(C)S(=O)(=O)c3ccccc3)cc2)CC1
InChIInChI=1S/C22H26N2O5S/c1-3-29-22(26)18-13-15-24(16-14-18)21(25)17-9-11-19(12-10-17)23(2)30(27,28)20-7-5-4-6-8-20/h4-12,18H,3,13-16H2,1-2H3
InChIKeyCCTQDOZRQDVYRX-UHFFFAOYSA-N
XLogP2.93
TPSA83.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.53
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]benzenesulfonamide
CID 1107832
N-[4-[4-[4-[benzenesulfonyl(methyl)amino]benzoyl]piperazine-1-carbonyl]phenyl]-N-methylbenzenesulfonamide
CID 3119066
ethyl 1-[4-(dipropylsulfamoyl)benzoyl]piperidine-4-carboxylate
CID 44533421
4-(4-aminopiperidine-1-carbonyl)-N-methyl-N-phenylbenzenesulfonamide;hydrochloride
CID 119375145
ethyl 1-[2-[N-(benzenesulfonyl)-4-ethylanilino]acetyl]piperidine-4-carboxylate
CID 23769142
ethyl 1-[3-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-methylsulfamoyl]benzoyl]piperidine-4-carboxylate
CID 42908677
ethyl 4-[[4-[methyl(phenyl)sulfamoyl]benzoyl]amino]piperidine-1-carboxylate
CID 31542226
[4-[(4-methoxyphenyl)sulfonyl-methylamino]phenyl] 1-(4-chlorobenzoyl)piperidine-4-carboxylate
CID 16550879
ethyl 1-[4-(chloromethyl)benzoyl]piperidine-4-carboxylate
CID 43333531
N-methyl-4-(4-methylpiperazine-1-carbonyl)-N-phenylbenzenesulfonamide
CID 2473147
ethyl 1-[4-(prop-2-ynylsulfamoyl)benzoyl]piperidine-4-carboxylate
CID 51298052
methyl 1-[4-(dimethylsulfamoyl)benzoyl]piperidine-4-carboxylate
CID 51153899

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[4-[benzenesulfonyl(methyl)amino]benzoyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[4-[benzenesulfonyl(methyl)amino]benzoyl]piperidine-4-carboxylate (CID 23761964) is ethyl 1-[4-[benzenesulfonyl(methyl)amino]benzoyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[4-[benzenesulfonyl(methyl)amino]benzoyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[4-[benzenesulfonyl(methyl)amino]benzoyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)c2ccc(N(C)S(=O)(=O)c3ccccc3)cc2)CC1.
What is the InChIKey of ethyl 1-[4-[benzenesulfonyl(methyl)amino]benzoyl]piperidine-4-carboxylate?
The InChIKey is CCTQDOZRQDVYRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O5S/c1-3-29-22(26)18-13-15-24(16-14-18)21(25)17-9-11-19(12-10-17)23(2)30(27,28)20-7-5-4-6-8-20/h4-12,18H,3,13-16H2,1-2H3.
What are the key properties of ethyl 1-[4-[benzenesulfonyl(methyl)amino]benzoyl]piperidine-4-carboxylate?
ethyl 1-[4-[benzenesulfonyl(methyl)amino]benzoyl]piperidine-4-carboxylate has a molecular weight of 430.53 g/mol, XLogP of 2.93, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[4-[benzenesulfonyl(methyl)amino]benzoyl]piperidine-4-carboxylate is sourced from PubChem (CID 23761964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).