tert-butyl 3-[[3-(furan-2-ylmethylsulfamoyl)phenyl]carbamoyl]piperidine-1-carboxylate

C22H29N3O6S — CID 55439389

IUPACtert-butyl 3-[[3-(furan-2-ylmethylsulfamoyl)phenyl]carbamoyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC(C(=O)Nc2cccc(S(=O)(=O)NCc3ccco3)c2)C1
InChIInChI=1S/C22H29N3O6S/c1-22(2,3)31-21(27)25-11-5-7-16(15-25)20(26)24-17-8-4-10-19(13-17)32(28,29)23-14-18-9-6-12-30-18/h4,6,8-10,12-13,16,23H,5,7,11,14-15H2,1-3H3,(H,24,26)
InChIKeyGTTBDDGMKZOVTQ-UHFFFAOYSA-N
MW463.56 g/mol
LogP3.34
Rot. Bonds6

About tert-butyl 3-[[3-(furan-2-ylmethylsulfamoyl)phenyl]carbamoyl]piperidine-1-carboxylate

tert-butyl 3-[[3-(furan-2-ylmethylsulfamoyl)phenyl]carbamoyl]piperidine-1-carboxylate (PubChem CID 55439389) has the molecular formula C22H29N3O6S and a molecular weight of 463.56 g/mol. Its IUPAC name is tert-butyl 3-[[3-(furan-2-ylmethylsulfamoyl)phenyl]carbamoyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[[3-(furan-2-ylmethylsulfamoyl)phenyl]carbamoyl]piperidine-1-carboxylate
PubChem CID55439389
Molecular FormulaC22H29N3O6S
Molecular Weight463.56 g/mol
Exact Mass463.18
IUPAC Nametert-butyl 3-[[3-(furan-2-ylmethylsulfamoyl)phenyl]carbamoyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC(C(=O)Nc2cccc(S(=O)(=O)NCc3ccco3)c2)C1
InChIInChI=1S/C22H29N3O6S/c1-22(2,3)31-21(27)25-11-5-7-16(15-25)20(26)24-17-8-4-10-19(13-17)32(28,29)23-14-18-9-6-12-30-18/h4,6,8-10,12-13,16,23H,5,7,11,14-15H2,1-3H3,(H,24,26)
InChIKeyGTTBDDGMKZOVTQ-UHFFFAOYSA-N
XLogP3.34
TPSA117.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.56
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl 3-[[3-(tert-butylsulfamoyl)phenyl]carbamoyl]piperidine-1-carboxylate
CID 55438893
2-(azocan-1-yl)-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]acetamide
CID 8680183
tert-butyl 3-[(3-methoxyphenyl)carbamoyl]piperidine-1-carboxylate
CID 24535934
tert-butyl 3-[(3-methoxycarbonylphenyl)carbamoyl]piperidine-1-carboxylate
CID 51255258
N-(furan-2-ylmethyl)-3-(3-methylpiperidine-1-carbonyl)benzenesulfonamide
CID 109064445
tert-butyl 3-[[4-(ethylsulfonylamino)phenyl]carbamoyl]piperidine-1-carboxylate
CID 55960977
ethyl 3-[[3-(diethylsulfamoyl)phenyl]carbamoyl]piperidine-1-carboxylate
CID 42948173
tert-butyl (3S)-3-[[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]carbamoyl]piperidine-1-carboxylate
CID 38476608
2-(furan-2-yl)-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]cyclopropane-1-carboxamide
CID 86852545
N-[3-(2-aminoethylsulfamoyl)phenyl]-1-(cyclopropanecarbonyl)piperidine-3-carboxamide
CID 119465895
(3S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 35558989
tert-butyl (3S)-3-[(4-fluorophenyl)carbamoyl]piperidine-1-carboxylate
CID 42053071

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[[3-(furan-2-ylmethylsulfamoyl)phenyl]carbamoyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 3-[[3-(furan-2-ylmethylsulfamoyl)phenyl]carbamoyl]piperidine-1-carboxylate (CID 55439389) is tert-butyl 3-[[3-(furan-2-ylmethylsulfamoyl)phenyl]carbamoyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[[3-(furan-2-ylmethylsulfamoyl)phenyl]carbamoyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-[[3-(furan-2-ylmethylsulfamoyl)phenyl]carbamoyl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCCC(C(=O)Nc2cccc(S(=O)(=O)NCc3ccco3)c2)C1.
What is the InChIKey of tert-butyl 3-[[3-(furan-2-ylmethylsulfamoyl)phenyl]carbamoyl]piperidine-1-carboxylate?
The InChIKey is GTTBDDGMKZOVTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O6S/c1-22(2,3)31-21(27)25-11-5-7-16(15-25)20(26)24-17-8-4-10-19(13-17)32(28,29)23-14-18-9-6-12-30-18/h4,6,8-10,12-13,16,23H,5,7,11,14-15H2,1-3H3,(H,24,26).
What are the key properties of tert-butyl 3-[[3-(furan-2-ylmethylsulfamoyl)phenyl]carbamoyl]piperidine-1-carboxylate?
tert-butyl 3-[[3-(furan-2-ylmethylsulfamoyl)phenyl]carbamoyl]piperidine-1-carboxylate has a molecular weight of 463.56 g/mol, XLogP of 3.34, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[[3-(furan-2-ylmethylsulfamoyl)phenyl]carbamoyl]piperidine-1-carboxylate is sourced from PubChem (CID 55439389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).