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

C22H27N3O5S — CID 31542226

IUPACethyl 4-[[4-[methyl(phenyl)sulfamoyl]benzoyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)c2ccc(S(=O)(=O)N(C)c3ccccc3)cc2)CC1
InChIInChI=1S/C22H27N3O5S/c1-3-30-22(27)25-15-13-18(14-16-25)23-21(26)17-9-11-20(12-10-17)31(28,29)24(2)19-7-5-4-6-8-19/h4-12,18H,3,13-16H2,1-2H3,(H,23,26)
InChIKeyLCFLKKBANDEQEP-UHFFFAOYSA-N
MW445.54 g/mol
LogP2.86
Rot. Bonds6

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

ethyl 4-[[4-[methyl(phenyl)sulfamoyl]benzoyl]amino]piperidine-1-carboxylate (PubChem CID 31542226) has the molecular formula C22H27N3O5S and a molecular weight of 445.54 g/mol. Its IUPAC name is ethyl 4-[[4-[methyl(phenyl)sulfamoyl]benzoyl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[[4-[methyl(phenyl)sulfamoyl]benzoyl]amino]piperidine-1-carboxylate
PubChem CID31542226
Molecular FormulaC22H27N3O5S
Molecular Weight445.54 g/mol
Exact Mass445.17
IUPAC Nameethyl 4-[[4-[methyl(phenyl)sulfamoyl]benzoyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)c2ccc(S(=O)(=O)N(C)c3ccccc3)cc2)CC1
InChIInChI=1S/C22H27N3O5S/c1-3-30-22(27)25-15-13-18(14-16-25)23-21(26)17-9-11-20(12-10-17)31(28,29)24(2)19-7-5-4-6-8-19/h4-12,18H,3,13-16H2,1-2H3,(H,23,26)
InChIKeyLCFLKKBANDEQEP-UHFFFAOYSA-N
XLogP2.86
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.54
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-4-[methyl(phenyl)sulfamoyl]benzamide
CID 46476979
ethyl 4-benzamidopiperidine-1-carboxylate
CID 18120666
ethyl 4-[[4-[(1-ethoxycarbonylpiperidin-4-yl)carbamoyl]benzoyl]amino]piperidine-1-carboxylate
CID 24644255
N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-4-[methyl(phenyl)sulfamoyl]benzamide
CID 55735053
4-[methyl-(4-methylphenyl)sulfonylamino]-N-(1-methylpiperidin-4-yl)benzamide
CID 53279690
ethyl 4-[(4-ethoxybenzoyl)amino]piperidine-1-carboxylate
CID 31542192
N-(8-azabicyclo[3.2.1]octan-3-yl)-4-[methyl(phenyl)sulfamoyl]benzamide;hydrochloride
CID 119457671
ethyl 1-[4-[benzenesulfonyl(methyl)amino]benzoyl]piperidine-4-carboxylate
CID 23761964
ethyl 3-carbamoyl-2-[[4-[methyl(phenyl)sulfamoyl]benzoyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate
CID 4100161
diethyl 2-[[4-[methyl(phenyl)sulfamoyl]benzoyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3,6-dicarboxylate
CID 3656834
ethyl 4-[(4-cyanobenzoyl)amino]piperidine-1-carboxylate
CID 17473701
4-[methyl(phenyl)sulfamoyl]-N-propylbenzamide
CID 2432115

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[4-[methyl(phenyl)sulfamoyl]benzoyl]amino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[[4-[methyl(phenyl)sulfamoyl]benzoyl]amino]piperidine-1-carboxylate (CID 31542226) is ethyl 4-[[4-[methyl(phenyl)sulfamoyl]benzoyl]amino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[[4-[methyl(phenyl)sulfamoyl]benzoyl]amino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[[4-[methyl(phenyl)sulfamoyl]benzoyl]amino]piperidine-1-carboxylate is CCOC(=O)N1CCC(NC(=O)c2ccc(S(=O)(=O)N(C)c3ccccc3)cc2)CC1.
What is the InChIKey of ethyl 4-[[4-[methyl(phenyl)sulfamoyl]benzoyl]amino]piperidine-1-carboxylate?
The InChIKey is LCFLKKBANDEQEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O5S/c1-3-30-22(27)25-15-13-18(14-16-25)23-21(26)17-9-11-20(12-10-17)31(28,29)24(2)19-7-5-4-6-8-19/h4-12,18H,3,13-16H2,1-2H3,(H,23,26).
What are the key properties of ethyl 4-[[4-[methyl(phenyl)sulfamoyl]benzoyl]amino]piperidine-1-carboxylate?
ethyl 4-[[4-[methyl(phenyl)sulfamoyl]benzoyl]amino]piperidine-1-carboxylate has a molecular weight of 445.54 g/mol, XLogP of 2.86, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[4-[methyl(phenyl)sulfamoyl]benzoyl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 31542226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).