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

C30H34N2O6S — CID 67205030

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

tert-butyl-[1-[4-(4-methoxy-2-methylsulfonyl-5-phenyl-7H-furo[2,3-c]pyridin-6-yl)phenyl]cyclobutyl]carbamic acid (PubChem CID 67205030) has the molecular formula C30H34N2O6S and a molecular weight of 550.68 g/mol. Its IUPAC name is tert-butyl-[1-[4-(4-methoxy-2-methylsulfonyl-5-phenyl-7H-furo[2,3-c]pyridin-6-yl)phenyl]cyclobutyl]carbamic acid.

Molecular Properties

• Compound Name: tert-butyl-[1-[4-(4-methoxy-2-methylsulfonyl-5-phenyl-7H-furo[2,3-c]pyridin-6-yl)phenyl]cyclobutyl]carbamic acid
• PubChem CID: 67205030
• Molecular Formula: C30H34N2O6S
• Molecular Weight: 550.68 g/mol
• Exact Mass: 550.21
• IUPAC Name: tert-butyl-[1-[4-(4-methoxy-2-methylsulfonyl-5-phenyl-7H-furo[2,3-c]pyridin-6-yl)phenyl]cyclobutyl]carbamic acid
• SMILES: COC1=C(c2ccccc2)N(c2ccc(C3(N(C(=O)O)C(C)(C)C)CCC3)cc2)Cc2oc(S(C)(=O)=O)cc21
• InChI: InChI=1S/C30H34N2O6S/c1-29(2,3)32(28(33)34)30(16-9-17-30)21-12-14-22(15-13-21)31-19-24-23(18-25(38-24)39(5,35)36)27(37-4)26(31)20-10-7-6-8-11-20/h6-8,10-15,18H,9,16-17,19H2,1-5H3,(H,33,34)
• InChIKey: UJZBVDSTZBJYMG-UHFFFAOYSA-N
• XLogP: 6.33
• TPSA: 100.29 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	550.68
LogP ≤ 5	6.33
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of tert-butyl-[1-[4-(4-methoxy-2-methylsulfonyl-5-phenyl-7H-furo[2,3-c]pyridin-6-yl)phenyl]cyclobutyl]carbamic acid (CID 67205030) is tert-butyl-[1-[4-(4-methoxy-2-methylsulfonyl-5-phenyl-7H-furo[2,3-c]pyridin-6-yl)phenyl]cyclobutyl]carbamic acid.

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

The canonical SMILES for tert-butyl-[1-[4-(4-methoxy-2-methylsulfonyl-5-phenyl-7H-furo[2,3-c]pyridin-6-yl)phenyl]cyclobutyl]carbamic acid is COC1=C(c2ccccc2)N(c2ccc(C3(N(C(=O)O)C(C)(C)C)CCC3)cc2)Cc2oc(S(C)(=O)=O)cc21.

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

The InChIKey is UJZBVDSTZBJYMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34N2O6S/c1-29(2,3)32(28(33)34)30(16-9-17-30)21-12-14-22(15-13-21)31-19-24-23(18-25(38-24)39(5,35)36)27(37-4)26(31)20-10-7-6-8-11-20/h6-8,10-15,18H,9,16-17,19H2,1-5H3,(H,33,34).

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

tert-butyl-[1-[4-(4-methoxy-2-methylsulfonyl-5-phenyl-7H-furo[2,3-c]pyridin-6-yl)phenyl]cyclobutyl]carbamic acid has a molecular weight of 550.68 g/mol, XLogP of 6.33, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl-[1-[4-(4-methoxy-2-methylsulfonyl-5-phenyl-7H-furo[2,3-c]pyridin-6-yl)phenyl]cyclobutyl]carbamic acid is sourced from PubChem (CID 67205030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).