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

C26H26N2O6S — CID 67207337

IUPAC[1-[4-(4-methoxy-2-methylsulfonyl-5-phenyl-7H-furo[2,3-c]pyridin-6-yl)phenyl]cyclobutyl]carbamic acid
SMILESCOC1=C(c2ccccc2)N(c2ccc(C3(NC(=O)O)CCC3)cc2)Cc2oc(S(C)(=O)=O)cc21
InChIInChI=1S/C26H26N2O6S/c1-33-24-20-15-22(35(2,31)32)34-21(20)16-28(23(24)17-7-4-3-5-8-17)19-11-9-18(10-12-19)26(13-6-14-26)27-25(29)30/h3-5,7-12,15,27H,6,13-14,16H2,1-2H3,(H,29,30)
InChIKeyMURBWPSRBOMQPL-UHFFFAOYSA-N
MW494.57 g/mol
LogP4.82
Rot. Bonds6

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

[1-[4-(4-methoxy-2-methylsulfonyl-5-phenyl-7H-furo[2,3-c]pyridin-6-yl)phenyl]cyclobutyl]carbamic acid (PubChem CID 67207337) has the molecular formula C26H26N2O6S and a molecular weight of 494.57 g/mol. Its IUPAC name is [1-[4-(4-methoxy-2-methylsulfonyl-5-phenyl-7H-furo[2,3-c]pyridin-6-yl)phenyl]cyclobutyl]carbamic acid.

Molecular Properties

Compound Name[1-[4-(4-methoxy-2-methylsulfonyl-5-phenyl-7H-furo[2,3-c]pyridin-6-yl)phenyl]cyclobutyl]carbamic acid
PubChem CID67207337
Molecular FormulaC26H26N2O6S
Molecular Weight494.57 g/mol
Exact Mass494.15
IUPAC Name[1-[4-(4-methoxy-2-methylsulfonyl-5-phenyl-7H-furo[2,3-c]pyridin-6-yl)phenyl]cyclobutyl]carbamic acid
SMILESCOC1=C(c2ccccc2)N(c2ccc(C3(NC(=O)O)CCC3)cc2)Cc2oc(S(C)(=O)=O)cc21
InChIInChI=1S/C26H26N2O6S/c1-33-24-20-15-22(35(2,31)32)34-21(20)16-28(23(24)17-7-4-3-5-8-17)19-11-9-18(10-12-19)26(13-6-14-26)27-25(29)30/h3-5,7-12,15,27H,6,13-14,16H2,1-2H3,(H,29,30)
InChIKeyMURBWPSRBOMQPL-UHFFFAOYSA-N
XLogP4.82
TPSA109.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.57
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [1-[4-(4-methoxy-2-methylsulfonyl-5-phenyl-7H-furo[2,3-c]pyridin-6-yl)phenyl]cyclobutyl]carbamic acid?
The IUPAC name of [1-[4-(4-methoxy-2-methylsulfonyl-5-phenyl-7H-furo[2,3-c]pyridin-6-yl)phenyl]cyclobutyl]carbamic acid (CID 67207337) is [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 [1-[4-(4-methoxy-2-methylsulfonyl-5-phenyl-7H-furo[2,3-c]pyridin-6-yl)phenyl]cyclobutyl]carbamic acid?
The canonical SMILES for [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(NC(=O)O)CCC3)cc2)Cc2oc(S(C)(=O)=O)cc21.
What is the InChIKey of [1-[4-(4-methoxy-2-methylsulfonyl-5-phenyl-7H-furo[2,3-c]pyridin-6-yl)phenyl]cyclobutyl]carbamic acid?
The InChIKey is MURBWPSRBOMQPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N2O6S/c1-33-24-20-15-22(35(2,31)32)34-21(20)16-28(23(24)17-7-4-3-5-8-17)19-11-9-18(10-12-19)26(13-6-14-26)27-25(29)30/h3-5,7-12,15,27H,6,13-14,16H2,1-2H3,(H,29,30).
What are the key properties of [1-[4-(4-methoxy-2-methylsulfonyl-5-phenyl-7H-furo[2,3-c]pyridin-6-yl)phenyl]cyclobutyl]carbamic acid?
[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 494.57 g/mol, XLogP of 4.82, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [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 67207337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).