tert-butyl N-[1-[4-(2-methylsulfonyl-5-phenyl-7H-furo[2,3-c]pyridin-6-yl)phenyl]cyclobutyl]carbamate

C29H32N2O5S — CID 67205031

About tert-butyl N-[1-[4-(2-methylsulfonyl-5-phenyl-7H-furo[2,3-c]pyridin-6-yl)phenyl]cyclobutyl]carbamate

tert-butyl N-[1-[4-(2-methylsulfonyl-5-phenyl-7H-furo[2,3-c]pyridin-6-yl)phenyl]cyclobutyl]carbamate (PubChem CID 67205031) has the molecular formula C29H32N2O5S and a molecular weight of 520.65 g/mol. Its IUPAC name is tert-butyl N-[1-[4-(2-methylsulfonyl-5-phenyl-7H-furo[2,3-c]pyridin-6-yl)phenyl]cyclobutyl]carbamate.

Molecular Properties

• Compound Name: tert-butyl N-[1-[4-(2-methylsulfonyl-5-phenyl-7H-furo[2,3-c]pyridin-6-yl)phenyl]cyclobutyl]carbamate
• PubChem CID: 67205031
• Molecular Formula: C29H32N2O5S
• Molecular Weight: 520.65 g/mol
• Exact Mass: 520.20
• IUPAC Name: tert-butyl N-[1-[4-(2-methylsulfonyl-5-phenyl-7H-furo[2,3-c]pyridin-6-yl)phenyl]cyclobutyl]carbamate
• SMILES: CC(C)(C)OC(=O)NC1(c2ccc(N3Cc4oc(S(C)(=O)=O)cc4C=C3c3ccccc3)cc2)CCC1
• InChI: InChI=1S/C29H32N2O5S/c1-28(2,3)36-27(32)30-29(15-8-16-29)22-11-13-23(14-12-22)31-19-25-21(18-26(35-25)37(4,33)34)17-24(31)20-9-6-5-7-10-20/h5-7,9-14,17-18H,8,15-16,19H2,1-4H3,(H,30,32)
• InChIKey: PQGQKYBLMQVONZ-UHFFFAOYSA-N
• XLogP: 6.11
• TPSA: 88.85 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	520.65
LogP ≤ 5	6.11
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[4-(2-methylsulfonyl-5-phenyl-7H-furo[2,3-c]pyridin-6-yl)phenyl]cyclobutyl]carbamate?

The IUPAC name of tert-butyl N-[1-[4-(2-methylsulfonyl-5-phenyl-7H-furo[2,3-c]pyridin-6-yl)phenyl]cyclobutyl]carbamate (CID 67205031) is tert-butyl N-[1-[4-(2-methylsulfonyl-5-phenyl-7H-furo[2,3-c]pyridin-6-yl)phenyl]cyclobutyl]carbamate.

What is the SMILES notation for tert-butyl N-[1-[4-(2-methylsulfonyl-5-phenyl-7H-furo[2,3-c]pyridin-6-yl)phenyl]cyclobutyl]carbamate?

The canonical SMILES for tert-butyl N-[1-[4-(2-methylsulfonyl-5-phenyl-7H-furo[2,3-c]pyridin-6-yl)phenyl]cyclobutyl]carbamate is CC(C)(C)OC(=O)NC1(c2ccc(N3Cc4oc(S(C)(=O)=O)cc4C=C3c3ccccc3)cc2)CCC1.

What is the InChIKey of tert-butyl N-[1-[4-(2-methylsulfonyl-5-phenyl-7H-furo[2,3-c]pyridin-6-yl)phenyl]cyclobutyl]carbamate?

The InChIKey is PQGQKYBLMQVONZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N2O5S/c1-28(2,3)36-27(32)30-29(15-8-16-29)22-11-13-23(14-12-22)31-19-25-21(18-26(35-25)37(4,33)34)17-24(31)20-9-6-5-7-10-20/h5-7,9-14,17-18H,8,15-16,19H2,1-4H3,(H,30,32).

What are the key properties of tert-butyl N-[1-[4-(2-methylsulfonyl-5-phenyl-7H-furo[2,3-c]pyridin-6-yl)phenyl]cyclobutyl]carbamate?

tert-butyl N-[1-[4-(2-methylsulfonyl-5-phenyl-7H-furo[2,3-c]pyridin-6-yl)phenyl]cyclobutyl]carbamate has a molecular weight of 520.65 g/mol, XLogP of 6.11, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[1-[4-(2-methylsulfonyl-5-phenyl-7H-furo[2,3-c]pyridin-6-yl)phenyl]cyclobutyl]carbamate is sourced from PubChem (CID 67205031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).