tert-butyl 4-[[3-[methyl(propan-2-yl)sulfamoyl]benzoyl]amino]piperidine-1-carboxylate

C21H33N3O5S — CID 55986626

IUPACtert-butyl 4-[[3-[methyl(propan-2-yl)sulfamoyl]benzoyl]amino]piperidine-1-carboxylate
SMILESCC(C)N(C)S(=O)(=O)c1cccc(C(=O)NC2CCN(C(=O)OC(C)(C)C)CC2)c1
InChIInChI=1S/C21H33N3O5S/c1-15(2)23(6)30(27,28)18-9-7-8-16(14-18)19(25)22-17-10-12-24(13-11-17)20(26)29-21(3,4)5/h7-9,14-15,17H,10-13H2,1-6H3,(H,22,25)
InChIKeyFTQCIACLFOKUOG-UHFFFAOYSA-N
MW439.58 g/mol
LogP2.84
Rot. Bonds5

About tert-butyl 4-[[3-[methyl(propan-2-yl)sulfamoyl]benzoyl]amino]piperidine-1-carboxylate

tert-butyl 4-[[3-[methyl(propan-2-yl)sulfamoyl]benzoyl]amino]piperidine-1-carboxylate (PubChem CID 55986626) has the molecular formula C21H33N3O5S and a molecular weight of 439.58 g/mol. Its IUPAC name is tert-butyl 4-[[3-[methyl(propan-2-yl)sulfamoyl]benzoyl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[[3-[methyl(propan-2-yl)sulfamoyl]benzoyl]amino]piperidine-1-carboxylate
PubChem CID55986626
Molecular FormulaC21H33N3O5S
Molecular Weight439.58 g/mol
Exact Mass439.21
IUPAC Nametert-butyl 4-[[3-[methyl(propan-2-yl)sulfamoyl]benzoyl]amino]piperidine-1-carboxylate
SMILESCC(C)N(C)S(=O)(=O)c1cccc(C(=O)NC2CCN(C(=O)OC(C)(C)C)CC2)c1
InChIInChI=1S/C21H33N3O5S/c1-15(2)23(6)30(27,28)18-9-7-8-16(14-18)19(25)22-17-10-12-24(13-11-17)20(26)29-21(3,4)5/h7-9,14-15,17H,10-13H2,1-6H3,(H,22,25)
InChIKeyFTQCIACLFOKUOG-UHFFFAOYSA-N
XLogP2.84
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.58
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]carbamoyl]benzoic acid
CID 53255865
tert-butyl 4-[(3-fluorobenzoyl)amino]piperidine-1-carboxylate
CID 53255515
3-[methyl(propan-2-yl)sulfamoyl]-N-piperidin-4-ylbenzamide
CID 119388175
3-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]sulfamoyl]benzoic acid
CID 53255861
3-(dimethylsulfamoyl)-N-(4-hydroxycyclohexyl)benzamide
CID 4811461
tert-butyl 4-[[4-(methylsulfonylmethyl)benzoyl]amino]piperidine-1-carboxylate
CID 55985019
tert-butyl 4-(benzoylcarbamoylamino)piperidine-1-carboxylate
CID 58602980
[2-(cyclopentylamino)-2-oxoethyl] 3-[methyl(propan-2-yl)sulfamoyl]benzoate
CID 7753771
tert-butyl 4-[(4-phenoxybenzoyl)amino]piperidine-1-carboxylate
CID 55985531
3-(dimethylsulfamoyl)-N-(1-propylpiperidin-4-yl)benzamide
CID 9264466
ethyl 4-[[3-(propylsulfamoyl)benzoyl]amino]piperidine-1-carboxylate
CID 109061890
tert-butyl 4-[(4-fluoro-3-piperidin-1-ylsulfonylbenzoyl)amino]piperidine-1-carboxylate
CID 55984768

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[[3-[methyl(propan-2-yl)sulfamoyl]benzoyl]amino]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[[3-[methyl(propan-2-yl)sulfamoyl]benzoyl]amino]piperidine-1-carboxylate (CID 55986626) is tert-butyl 4-[[3-[methyl(propan-2-yl)sulfamoyl]benzoyl]amino]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[[3-[methyl(propan-2-yl)sulfamoyl]benzoyl]amino]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[[3-[methyl(propan-2-yl)sulfamoyl]benzoyl]amino]piperidine-1-carboxylate is CC(C)N(C)S(=O)(=O)c1cccc(C(=O)NC2CCN(C(=O)OC(C)(C)C)CC2)c1.
What is the InChIKey of tert-butyl 4-[[3-[methyl(propan-2-yl)sulfamoyl]benzoyl]amino]piperidine-1-carboxylate?
The InChIKey is FTQCIACLFOKUOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N3O5S/c1-15(2)23(6)30(27,28)18-9-7-8-16(14-18)19(25)22-17-10-12-24(13-11-17)20(26)29-21(3,4)5/h7-9,14-15,17H,10-13H2,1-6H3,(H,22,25).
What are the key properties of tert-butyl 4-[[3-[methyl(propan-2-yl)sulfamoyl]benzoyl]amino]piperidine-1-carboxylate?
tert-butyl 4-[[3-[methyl(propan-2-yl)sulfamoyl]benzoyl]amino]piperidine-1-carboxylate has a molecular weight of 439.58 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[[3-[methyl(propan-2-yl)sulfamoyl]benzoyl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 55986626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).