2-cyclobutyl-5-[4-(dimethylsulfamoylamino)phenyl]sulfonyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine

C18H24N4O5S2 — CID 169410713

IUPAC2-cyclobutyl-5-[4-(dimethylsulfamoylamino)phenyl]sulfonyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine
SMILESCN(C)S(=O)(=O)Nc1ccc(S(=O)(=O)N2CCc3oc(C4CCC4)nc3C2)cc1
InChIInChI=1S/C18H24N4O5S2/c1-21(2)29(25,26)20-14-6-8-15(9-7-14)28(23,24)22-11-10-17-16(12-22)19-18(27-17)13-4-3-5-13/h6-9,13,20H,3-5,10-12H2,1-2H3
InChIKeyJWBGKIZBUDRREW-UHFFFAOYSA-N
MW440.55 g/mol
LogP1.91
Rot. Bonds6

About 2-cyclobutyl-5-[4-(dimethylsulfamoylamino)phenyl]sulfonyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine

2-cyclobutyl-5-[4-(dimethylsulfamoylamino)phenyl]sulfonyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine (PubChem CID 169410713) has the molecular formula C18H24N4O5S2 and a molecular weight of 440.55 g/mol. Its IUPAC name is 2-cyclobutyl-5-[4-(dimethylsulfamoylamino)phenyl]sulfonyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine.

Molecular Properties

Compound Name2-cyclobutyl-5-[4-(dimethylsulfamoylamino)phenyl]sulfonyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine
PubChem CID169410713
Molecular FormulaC18H24N4O5S2
Molecular Weight440.55 g/mol
Exact Mass440.12
IUPAC Name2-cyclobutyl-5-[4-(dimethylsulfamoylamino)phenyl]sulfonyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine
SMILESCN(C)S(=O)(=O)Nc1ccc(S(=O)(=O)N2CCc3oc(C4CCC4)nc3C2)cc1
InChIInChI=1S/C18H24N4O5S2/c1-21(2)29(25,26)20-14-6-8-15(9-7-14)28(23,24)22-11-10-17-16(12-22)19-18(27-17)13-4-3-5-13/h6-9,13,20H,3-5,10-12H2,1-2H3
InChIKeyJWBGKIZBUDRREW-UHFFFAOYSA-N
XLogP1.91
TPSA112.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.55
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-5-[4-(dimethylsulfamoylamino)phenyl]sulfonyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine?
The IUPAC name of 2-cyclobutyl-5-[4-(dimethylsulfamoylamino)phenyl]sulfonyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine (CID 169410713) is 2-cyclobutyl-5-[4-(dimethylsulfamoylamino)phenyl]sulfonyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine.
What is the SMILES notation for 2-cyclobutyl-5-[4-(dimethylsulfamoylamino)phenyl]sulfonyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine?
The canonical SMILES for 2-cyclobutyl-5-[4-(dimethylsulfamoylamino)phenyl]sulfonyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine is CN(C)S(=O)(=O)Nc1ccc(S(=O)(=O)N2CCc3oc(C4CCC4)nc3C2)cc1.
What is the InChIKey of 2-cyclobutyl-5-[4-(dimethylsulfamoylamino)phenyl]sulfonyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine?
The InChIKey is JWBGKIZBUDRREW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O5S2/c1-21(2)29(25,26)20-14-6-8-15(9-7-14)28(23,24)22-11-10-17-16(12-22)19-18(27-17)13-4-3-5-13/h6-9,13,20H,3-5,10-12H2,1-2H3.
What are the key properties of 2-cyclobutyl-5-[4-(dimethylsulfamoylamino)phenyl]sulfonyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine?
2-cyclobutyl-5-[4-(dimethylsulfamoylamino)phenyl]sulfonyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine has a molecular weight of 440.55 g/mol, XLogP of 1.91, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-5-[4-(dimethylsulfamoylamino)phenyl]sulfonyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine is sourced from PubChem (CID 169410713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).