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

C25H24N2O5S — CID 67207305

IUPAC[1-[4-(2-methylsulfonyl-5-phenyl-7H-furo[2,3-c]pyridin-6-yl)phenyl]cyclobutyl]carbamic acid
SMILESCS(=O)(=O)c1cc2c(o1)CN(c1ccc(C3(NC(=O)O)CCC3)cc1)C(c1ccccc1)=C2
InChIInChI=1S/C25H24N2O5S/c1-33(30,31)23-15-18-14-21(17-6-3-2-4-7-17)27(16-22(18)32-23)20-10-8-19(9-11-20)25(12-5-13-25)26-24(28)29/h2-4,6-11,14-15,26H,5,12-13,16H2,1H3,(H,28,29)
InChIKeyJAVJTLDNYXNUBC-UHFFFAOYSA-N
MW464.54 g/mol
LogP4.85
Rot. Bonds5

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

[1-[4-(2-methylsulfonyl-5-phenyl-7H-furo[2,3-c]pyridin-6-yl)phenyl]cyclobutyl]carbamic acid (PubChem CID 67207305) has the molecular formula C25H24N2O5S and a molecular weight of 464.54 g/mol. Its IUPAC name is [1-[4-(2-methylsulfonyl-5-phenyl-7H-furo[2,3-c]pyridin-6-yl)phenyl]cyclobutyl]carbamic acid.

Molecular Properties

Compound Name[1-[4-(2-methylsulfonyl-5-phenyl-7H-furo[2,3-c]pyridin-6-yl)phenyl]cyclobutyl]carbamic acid
PubChem CID67207305
Molecular FormulaC25H24N2O5S
Molecular Weight464.54 g/mol
Exact Mass464.14
IUPAC Name[1-[4-(2-methylsulfonyl-5-phenyl-7H-furo[2,3-c]pyridin-6-yl)phenyl]cyclobutyl]carbamic acid
SMILESCS(=O)(=O)c1cc2c(o1)CN(c1ccc(C3(NC(=O)O)CCC3)cc1)C(c1ccccc1)=C2
InChIInChI=1S/C25H24N2O5S/c1-33(30,31)23-15-18-14-21(17-6-3-2-4-7-17)27(16-22(18)32-23)20-10-8-19(9-11-20)25(12-5-13-25)26-24(28)29/h2-4,6-11,14-15,26H,5,12-13,16H2,1H3,(H,28,29)
InChIKeyJAVJTLDNYXNUBC-UHFFFAOYSA-N
XLogP4.85
TPSA99.85 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.54
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-[4-(2-methylsulfonyl-5-phenyl-7H-furo[2,3-c]pyridin-6-yl)phenyl]cyclobutyl]carbamic acid?
The IUPAC name of [1-[4-(2-methylsulfonyl-5-phenyl-7H-furo[2,3-c]pyridin-6-yl)phenyl]cyclobutyl]carbamic acid (CID 67207305) is [1-[4-(2-methylsulfonyl-5-phenyl-7H-furo[2,3-c]pyridin-6-yl)phenyl]cyclobutyl]carbamic acid.
What is the SMILES notation for [1-[4-(2-methylsulfonyl-5-phenyl-7H-furo[2,3-c]pyridin-6-yl)phenyl]cyclobutyl]carbamic acid?
The canonical SMILES for [1-[4-(2-methylsulfonyl-5-phenyl-7H-furo[2,3-c]pyridin-6-yl)phenyl]cyclobutyl]carbamic acid is CS(=O)(=O)c1cc2c(o1)CN(c1ccc(C3(NC(=O)O)CCC3)cc1)C(c1ccccc1)=C2.
What is the InChIKey of [1-[4-(2-methylsulfonyl-5-phenyl-7H-furo[2,3-c]pyridin-6-yl)phenyl]cyclobutyl]carbamic acid?
The InChIKey is JAVJTLDNYXNUBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O5S/c1-33(30,31)23-15-18-14-21(17-6-3-2-4-7-17)27(16-22(18)32-23)20-10-8-19(9-11-20)25(12-5-13-25)26-24(28)29/h2-4,6-11,14-15,26H,5,12-13,16H2,1H3,(H,28,29).
What are the key properties of [1-[4-(2-methylsulfonyl-5-phenyl-7H-furo[2,3-c]pyridin-6-yl)phenyl]cyclobutyl]carbamic acid?
[1-[4-(2-methylsulfonyl-5-phenyl-7H-furo[2,3-c]pyridin-6-yl)phenyl]cyclobutyl]carbamic acid has a molecular weight of 464.54 g/mol, XLogP of 4.85, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-(2-methylsulfonyl-5-phenyl-7H-furo[2,3-c]pyridin-6-yl)phenyl]cyclobutyl]carbamic acid is sourced from PubChem (CID 67207305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).