tert-butyl 4-[5-[4-(methanesulfonamido)phenyl]furo[2,3-c]pyridin-2-yl]piperidine-1-carboxylate

C24H29N3O5S — CID 71736413

IUPACtert-butyl 4-[5-[4-(methanesulfonamido)phenyl]furo[2,3-c]pyridin-2-yl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(c2cc3cc(-c4ccc(NS(C)(=O)=O)cc4)ncc3o2)CC1
InChIInChI=1S/C24H29N3O5S/c1-24(2,3)32-23(28)27-11-9-17(10-12-27)21-14-18-13-20(25-15-22(18)31-21)16-5-7-19(8-6-16)26-33(4,29)30/h5-8,13-15,17,26H,9-12H2,1-4H3
InChIKeyOEBMNRVIDFJNFT-UHFFFAOYSA-N
MW471.58 g/mol
LogP4.98
Rot. Bonds4

About tert-butyl 4-[5-[4-(methanesulfonamido)phenyl]furo[2,3-c]pyridin-2-yl]piperidine-1-carboxylate

tert-butyl 4-[5-[4-(methanesulfonamido)phenyl]furo[2,3-c]pyridin-2-yl]piperidine-1-carboxylate (PubChem CID 71736413) has the molecular formula C24H29N3O5S and a molecular weight of 471.58 g/mol. Its IUPAC name is tert-butyl 4-[5-[4-(methanesulfonamido)phenyl]furo[2,3-c]pyridin-2-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[5-[4-(methanesulfonamido)phenyl]furo[2,3-c]pyridin-2-yl]piperidine-1-carboxylate
PubChem CID71736413
Molecular FormulaC24H29N3O5S
Molecular Weight471.58 g/mol
Exact Mass471.18
IUPAC Nametert-butyl 4-[5-[4-(methanesulfonamido)phenyl]furo[2,3-c]pyridin-2-yl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(c2cc3cc(-c4ccc(NS(C)(=O)=O)cc4)ncc3o2)CC1
InChIInChI=1S/C24H29N3O5S/c1-24(2,3)32-23(28)27-11-9-17(10-12-27)21-14-18-13-20(25-15-22(18)31-21)16-5-7-19(8-6-16)26-33(4,29)30/h5-8,13-15,17,26H,9-12H2,1-4H3
InChIKeyOEBMNRVIDFJNFT-UHFFFAOYSA-N
XLogP4.98
TPSA101.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.58
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[5-[4-(methanesulfonamido)phenyl]furo[2,3-c]pyridin-2-yl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[5-[4-(methanesulfonamido)phenyl]furo[2,3-c]pyridin-2-yl]piperidine-1-carboxylate (CID 71736413) is tert-butyl 4-[5-[4-(methanesulfonamido)phenyl]furo[2,3-c]pyridin-2-yl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[5-[4-(methanesulfonamido)phenyl]furo[2,3-c]pyridin-2-yl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[5-[4-(methanesulfonamido)phenyl]furo[2,3-c]pyridin-2-yl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(c2cc3cc(-c4ccc(NS(C)(=O)=O)cc4)ncc3o2)CC1.
What is the InChIKey of tert-butyl 4-[5-[4-(methanesulfonamido)phenyl]furo[2,3-c]pyridin-2-yl]piperidine-1-carboxylate?
The InChIKey is OEBMNRVIDFJNFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O5S/c1-24(2,3)32-23(28)27-11-9-17(10-12-27)21-14-18-13-20(25-15-22(18)31-21)16-5-7-19(8-6-16)26-33(4,29)30/h5-8,13-15,17,26H,9-12H2,1-4H3.
What are the key properties of tert-butyl 4-[5-[4-(methanesulfonamido)phenyl]furo[2,3-c]pyridin-2-yl]piperidine-1-carboxylate?
tert-butyl 4-[5-[4-(methanesulfonamido)phenyl]furo[2,3-c]pyridin-2-yl]piperidine-1-carboxylate has a molecular weight of 471.58 g/mol, XLogP of 4.98, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[5-[4-(methanesulfonamido)phenyl]furo[2,3-c]pyridin-2-yl]piperidine-1-carboxylate is sourced from PubChem (CID 71736413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).