tert-butyl N-[1-[2-(4-sulfamoylanilino)furo[3,2-d]pyrimidin-4-yl]pyrrolidin-3-yl]carbamate

C21H26N6O5S — CID 149433786

IUPACtert-butyl N-[1-[2-(4-sulfamoylanilino)furo[3,2-d]pyrimidin-4-yl]pyrrolidin-3-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCN(c2nc(Nc3ccc(S(N)(=O)=O)cc3)nc3ccoc23)C1
InChIInChI=1S/C21H26N6O5S/c1-21(2,3)32-20(28)24-14-8-10-27(12-14)18-17-16(9-11-31-17)25-19(26-18)23-13-4-6-15(7-5-13)33(22,29)30/h4-7,9,11,14H,8,10,12H2,1-3H3,(H,24,28)(H2,22,29,30)(H,23,25,26)
InChIKeyMDPVLZZAWBJZIA-UHFFFAOYSA-N
MW474.54 g/mol
LogP2.72
Rot. Bonds5

About tert-butyl N-[1-[2-(4-sulfamoylanilino)furo[3,2-d]pyrimidin-4-yl]pyrrolidin-3-yl]carbamate

tert-butyl N-[1-[2-(4-sulfamoylanilino)furo[3,2-d]pyrimidin-4-yl]pyrrolidin-3-yl]carbamate (PubChem CID 149433786) has the molecular formula C21H26N6O5S and a molecular weight of 474.54 g/mol. Its IUPAC name is tert-butyl N-[1-[2-(4-sulfamoylanilino)furo[3,2-d]pyrimidin-4-yl]pyrrolidin-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[2-(4-sulfamoylanilino)furo[3,2-d]pyrimidin-4-yl]pyrrolidin-3-yl]carbamate
PubChem CID149433786
Molecular FormulaC21H26N6O5S
Molecular Weight474.54 g/mol
Exact Mass474.17
IUPAC Nametert-butyl N-[1-[2-(4-sulfamoylanilino)furo[3,2-d]pyrimidin-4-yl]pyrrolidin-3-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCN(c2nc(Nc3ccc(S(N)(=O)=O)cc3)nc3ccoc23)C1
InChIInChI=1S/C21H26N6O5S/c1-21(2,3)32-20(28)24-14-8-10-27(12-14)18-17-16(9-11-31-17)25-19(26-18)23-13-4-6-15(7-5-13)33(22,29)30/h4-7,9,11,14H,8,10,12H2,1-3H3,(H,24,28)(H2,22,29,30)(H,23,25,26)
InChIKeyMDPVLZZAWBJZIA-UHFFFAOYSA-N
XLogP2.72
TPSA152.68 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.54
LogP ≤ 52.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze tert-butyl N-[1-[2-(4-sulfamoylanilino)furo[3,2-d]pyrimidin-4-yl]pyrrolidin-3-yl]carbamate with MolForge

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Related Compounds

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tert-butyl N-[1-(6-amino-5-formylpyrimidin-4-yl)pyrrolidin-3-yl]carbamate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[2-(4-sulfamoylanilino)furo[3,2-d]pyrimidin-4-yl]pyrrolidin-3-yl]carbamate?
The IUPAC name of tert-butyl N-[1-[2-(4-sulfamoylanilino)furo[3,2-d]pyrimidin-4-yl]pyrrolidin-3-yl]carbamate (CID 149433786) is tert-butyl N-[1-[2-(4-sulfamoylanilino)furo[3,2-d]pyrimidin-4-yl]pyrrolidin-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[2-(4-sulfamoylanilino)furo[3,2-d]pyrimidin-4-yl]pyrrolidin-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-[2-(4-sulfamoylanilino)furo[3,2-d]pyrimidin-4-yl]pyrrolidin-3-yl]carbamate is CC(C)(C)OC(=O)NC1CCN(c2nc(Nc3ccc(S(N)(=O)=O)cc3)nc3ccoc23)C1.
What is the InChIKey of tert-butyl N-[1-[2-(4-sulfamoylanilino)furo[3,2-d]pyrimidin-4-yl]pyrrolidin-3-yl]carbamate?
The InChIKey is MDPVLZZAWBJZIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6O5S/c1-21(2,3)32-20(28)24-14-8-10-27(12-14)18-17-16(9-11-31-17)25-19(26-18)23-13-4-6-15(7-5-13)33(22,29)30/h4-7,9,11,14H,8,10,12H2,1-3H3,(H,24,28)(H2,22,29,30)(H,23,25,26).
What are the key properties of tert-butyl N-[1-[2-(4-sulfamoylanilino)furo[3,2-d]pyrimidin-4-yl]pyrrolidin-3-yl]carbamate?
tert-butyl N-[1-[2-(4-sulfamoylanilino)furo[3,2-d]pyrimidin-4-yl]pyrrolidin-3-yl]carbamate has a molecular weight of 474.54 g/mol, XLogP of 2.72, 5 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[2-(4-sulfamoylanilino)furo[3,2-d]pyrimidin-4-yl]pyrrolidin-3-yl]carbamate is sourced from PubChem (CID 149433786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).