tert-butyl 4-[cyclopropyl-[4-(4-sulfamoylphenyl)benzoyl]amino]piperidine-1-carboxylate

C26H33N3O5S — CID 118300930

IUPACtert-butyl 4-[cyclopropyl-[4-(4-sulfamoylphenyl)benzoyl]amino]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(N(C(=O)c2ccc(-c3ccc(S(N)(=O)=O)cc3)cc2)C2CC2)CC1
InChIInChI=1S/C26H33N3O5S/c1-26(2,3)34-25(31)28-16-14-22(15-17-28)29(21-10-11-21)24(30)20-6-4-18(5-7-20)19-8-12-23(13-9-19)35(27,32)33/h4-9,12-13,21-22H,10-11,14-17H2,1-3H3,(H2,27,32,33)
InChIKeyWXISPCUIRIOIFF-UHFFFAOYSA-N
MW499.63 g/mol
LogP4.01
Rot. Bonds5

About tert-butyl 4-[cyclopropyl-[4-(4-sulfamoylphenyl)benzoyl]amino]piperidine-1-carboxylate

tert-butyl 4-[cyclopropyl-[4-(4-sulfamoylphenyl)benzoyl]amino]piperidine-1-carboxylate (PubChem CID 118300930) has the molecular formula C26H33N3O5S and a molecular weight of 499.63 g/mol. Its IUPAC name is tert-butyl 4-[cyclopropyl-[4-(4-sulfamoylphenyl)benzoyl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[cyclopropyl-[4-(4-sulfamoylphenyl)benzoyl]amino]piperidine-1-carboxylate
PubChem CID118300930
Molecular FormulaC26H33N3O5S
Molecular Weight499.63 g/mol
Exact Mass499.21
IUPAC Nametert-butyl 4-[cyclopropyl-[4-(4-sulfamoylphenyl)benzoyl]amino]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(N(C(=O)c2ccc(-c3ccc(S(N)(=O)=O)cc3)cc2)C2CC2)CC1
InChIInChI=1S/C26H33N3O5S/c1-26(2,3)34-25(31)28-16-14-22(15-17-28)29(21-10-11-21)24(30)20-6-4-18(5-7-20)19-8-12-23(13-9-19)35(27,32)33/h4-9,12-13,21-22H,10-11,14-17H2,1-3H3,(H2,27,32,33)
InChIKeyWXISPCUIRIOIFF-UHFFFAOYSA-N
XLogP4.01
TPSA110.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.63
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 4-[cyclopropyl-[4-[4-(methylsulfamoyl)phenyl]benzoyl]amino]piperidine-1-carboxylate
CID 118300931
tert-butyl 4-[cyclopropyl-[4-(furan-2-yl)benzoyl]amino]piperidine-1-carboxylate
CID 118300921
tert-butyl 4-[cyclopropyl-[4-(1,3-thiazol-5-yl)benzoyl]amino]piperidine-1-carboxylate
CID 73388329
tert-butyl 4-[5-(4-sulfamoylphenyl)pyrimidin-2-yl]piperidine-1-carboxylate
CID 141468048
tert-butyl 4-[cyclopropyl-[4-(3-methyl-1,2,4-oxadiazol-5-yl)benzoyl]amino]piperidine-1-carboxylate
CID 118300916
tert-butyl 4-[methyl(sulfamoyl)amino]piperidine-1-carboxylate
CID 167049164
tert-butyl 4-[(2-chloropyrimidine-5-carbonyl)-cyclopropylamino]piperidine-1-carboxylate
CID 86686152
tert-butyl 4-[4-(4-methoxycarbonylphenyl)phenyl]sulfonylpiperidine-1-carboxylate
CID 139989206
tert-butyl 3-(4-sulfamoylphenoxy)pyrrolidine-1-carboxylate
CID 167488707
4-[1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pyrazol-4-yl]benzoic acid
CID 142325362
tert-butyl 4-[[2-[4-[2-(2-aminopyrrolidin-1-yl)-2-oxoethyl]phenyl]pyrimidine-5-carbonyl]-cyclopropylamino]piperidine-1-carboxylate
CID 123676447
tert-butyl 4-[cyclopropyl-[1-methyl-2-(4-methylsulfonylphenyl)-2H-pyrimidine-5-carbonyl]amino]piperidine-1-carboxylate
CID 163482301

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[cyclopropyl-[4-(4-sulfamoylphenyl)benzoyl]amino]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[cyclopropyl-[4-(4-sulfamoylphenyl)benzoyl]amino]piperidine-1-carboxylate (CID 118300930) is tert-butyl 4-[cyclopropyl-[4-(4-sulfamoylphenyl)benzoyl]amino]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[cyclopropyl-[4-(4-sulfamoylphenyl)benzoyl]amino]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[cyclopropyl-[4-(4-sulfamoylphenyl)benzoyl]amino]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(N(C(=O)c2ccc(-c3ccc(S(N)(=O)=O)cc3)cc2)C2CC2)CC1.
What is the InChIKey of tert-butyl 4-[cyclopropyl-[4-(4-sulfamoylphenyl)benzoyl]amino]piperidine-1-carboxylate?
The InChIKey is WXISPCUIRIOIFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N3O5S/c1-26(2,3)34-25(31)28-16-14-22(15-17-28)29(21-10-11-21)24(30)20-6-4-18(5-7-20)19-8-12-23(13-9-19)35(27,32)33/h4-9,12-13,21-22H,10-11,14-17H2,1-3H3,(H2,27,32,33).
What are the key properties of tert-butyl 4-[cyclopropyl-[4-(4-sulfamoylphenyl)benzoyl]amino]piperidine-1-carboxylate?
tert-butyl 4-[cyclopropyl-[4-(4-sulfamoylphenyl)benzoyl]amino]piperidine-1-carboxylate has a molecular weight of 499.63 g/mol, XLogP of 4.01, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[cyclopropyl-[4-(4-sulfamoylphenyl)benzoyl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 118300930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).