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

C30H34N2O6S — CID 123804877

IUPACtert-butyl N-[1-[4-(4-methoxy-2-methylsulfonyl-5-phenyl-7H-furo[2,3-c]pyridin-6-yl)phenyl]cyclobutyl]carbamate
SMILESCOC1=C(c2ccccc2)N(c2ccc(C3(NC(=O)OC(C)(C)C)CCC3)cc2)Cc2oc(S(C)(=O)=O)cc21
InChIInChI=1S/C30H34N2O6S/c1-29(2,3)38-28(33)31-30(16-9-17-30)21-12-14-22(15-13-21)32-19-24-23(18-25(37-24)39(5,34)35)27(36-4)26(32)20-10-7-6-8-11-20/h6-8,10-15,18H,9,16-17,19H2,1-5H3,(H,31,33)
InChIKeyYDEIMURRLWMHSV-UHFFFAOYSA-N
MW550.68 g/mol
LogP6.08
Rot. Bonds6

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

tert-butyl N-[1-[4-(4-methoxy-2-methylsulfonyl-5-phenyl-7H-furo[2,3-c]pyridin-6-yl)phenyl]cyclobutyl]carbamate (PubChem CID 123804877) has the molecular formula C30H34N2O6S and a molecular weight of 550.68 g/mol. Its IUPAC name is tert-butyl N-[1-[4-(4-methoxy-2-methylsulfonyl-5-phenyl-7H-furo[2,3-c]pyridin-6-yl)phenyl]cyclobutyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[4-(4-methoxy-2-methylsulfonyl-5-phenyl-7H-furo[2,3-c]pyridin-6-yl)phenyl]cyclobutyl]carbamate
PubChem CID123804877
Molecular FormulaC30H34N2O6S
Molecular Weight550.68 g/mol
Exact Mass550.21
IUPAC Nametert-butyl N-[1-[4-(4-methoxy-2-methylsulfonyl-5-phenyl-7H-furo[2,3-c]pyridin-6-yl)phenyl]cyclobutyl]carbamate
SMILESCOC1=C(c2ccccc2)N(c2ccc(C3(NC(=O)OC(C)(C)C)CCC3)cc2)Cc2oc(S(C)(=O)=O)cc21
InChIInChI=1S/C30H34N2O6S/c1-29(2,3)38-28(33)31-30(16-9-17-30)21-12-14-22(15-13-21)32-19-24-23(18-25(37-24)39(5,34)35)27(36-4)26(32)20-10-7-6-8-11-20/h6-8,10-15,18H,9,16-17,19H2,1-5H3,(H,31,33)
InChIKeyYDEIMURRLWMHSV-UHFFFAOYSA-N
XLogP6.08
TPSA98.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500550.68
LogP ≤ 56.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[4-(4-methoxy-2-methylsulfonyl-5-phenyl-7H-furo[2,3-c]pyridin-6-yl)phenyl]cyclobutyl]carbamate?
The IUPAC name of tert-butyl N-[1-[4-(4-methoxy-2-methylsulfonyl-5-phenyl-7H-furo[2,3-c]pyridin-6-yl)phenyl]cyclobutyl]carbamate (CID 123804877) is tert-butyl N-[1-[4-(4-methoxy-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-(4-methoxy-2-methylsulfonyl-5-phenyl-7H-furo[2,3-c]pyridin-6-yl)phenyl]cyclobutyl]carbamate?
The canonical SMILES for tert-butyl N-[1-[4-(4-methoxy-2-methylsulfonyl-5-phenyl-7H-furo[2,3-c]pyridin-6-yl)phenyl]cyclobutyl]carbamate is COC1=C(c2ccccc2)N(c2ccc(C3(NC(=O)OC(C)(C)C)CCC3)cc2)Cc2oc(S(C)(=O)=O)cc21.
What is the InChIKey of tert-butyl N-[1-[4-(4-methoxy-2-methylsulfonyl-5-phenyl-7H-furo[2,3-c]pyridin-6-yl)phenyl]cyclobutyl]carbamate?
The InChIKey is YDEIMURRLWMHSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34N2O6S/c1-29(2,3)38-28(33)31-30(16-9-17-30)21-12-14-22(15-13-21)32-19-24-23(18-25(37-24)39(5,34)35)27(36-4)26(32)20-10-7-6-8-11-20/h6-8,10-15,18H,9,16-17,19H2,1-5H3,(H,31,33).
What are the key properties of tert-butyl N-[1-[4-(4-methoxy-2-methylsulfonyl-5-phenyl-7H-furo[2,3-c]pyridin-6-yl)phenyl]cyclobutyl]carbamate?
tert-butyl N-[1-[4-(4-methoxy-2-methylsulfonyl-5-phenyl-7H-furo[2,3-c]pyridin-6-yl)phenyl]cyclobutyl]carbamate has a molecular weight of 550.68 g/mol, XLogP of 6.08, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[4-(4-methoxy-2-methylsulfonyl-5-phenyl-7H-furo[2,3-c]pyridin-6-yl)phenyl]cyclobutyl]carbamate is sourced from PubChem (CID 123804877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).