N-[(6-fluoro-2-pyridinyl)sulfonyl]-1-[5-methyl-2-(oxan-3-yl)phenoxy]cyclopropane-1-carboxamide

C21H23FN2O5S — CID 154940947

IUPACN-[(6-fluoro-2-pyridinyl)sulfonyl]-1-[5-methyl-2-(oxan-3-yl)phenoxy]cyclopropane-1-carboxamide
SMILESCc1ccc(C2CCCOC2)c(OC2(C(=O)NS(=O)(=O)c3cccc(F)n3)CC2)c1
InChIInChI=1S/C21H23FN2O5S/c1-14-7-8-16(15-4-3-11-28-13-15)17(12-14)29-21(9-10-21)20(25)24-30(26,27)19-6-2-5-18(22)23-19/h2,5-8,12,15H,3-4,9-11,13H2,1H3,(H,24,25)
InChIKeyFCCVIYJHRNNZGN-UHFFFAOYSA-N
MW434.49 g/mol
LogP2.84
Rot. Bonds6

About N-[(6-fluoro-2-pyridinyl)sulfonyl]-1-[5-methyl-2-(oxan-3-yl)phenoxy]cyclopropane-1-carboxamide

N-[(6-fluoro-2-pyridinyl)sulfonyl]-1-[5-methyl-2-(oxan-3-yl)phenoxy]cyclopropane-1-carboxamide (PubChem CID 154940947) has the molecular formula C21H23FN2O5S and a molecular weight of 434.49 g/mol. Its IUPAC name is N-[(6-fluoro-2-pyridinyl)sulfonyl]-1-[5-methyl-2-(oxan-3-yl)phenoxy]cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[(6-fluoro-2-pyridinyl)sulfonyl]-1-[5-methyl-2-(oxan-3-yl)phenoxy]cyclopropane-1-carboxamide
PubChem CID154940947
Molecular FormulaC21H23FN2O5S
Molecular Weight434.49 g/mol
Exact Mass434.13
IUPAC NameN-[(6-fluoro-2-pyridinyl)sulfonyl]-1-[5-methyl-2-(oxan-3-yl)phenoxy]cyclopropane-1-carboxamide
SMILESCc1ccc(C2CCCOC2)c(OC2(C(=O)NS(=O)(=O)c3cccc(F)n3)CC2)c1
InChIInChI=1S/C21H23FN2O5S/c1-14-7-8-16(15-4-3-11-28-13-15)17(12-14)29-21(9-10-21)20(25)24-30(26,27)19-6-2-5-18(22)23-19/h2,5-8,12,15H,3-4,9-11,13H2,1H3,(H,24,25)
InChIKeyFCCVIYJHRNNZGN-UHFFFAOYSA-N
XLogP2.84
TPSA94.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.49
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(6-fluoro-2-pyridinyl)sulfonyl]-1-[5-methyl-2-(oxan-3-yl)phenoxy]cyclopropane-1-carboxamide?
The IUPAC name of N-[(6-fluoro-2-pyridinyl)sulfonyl]-1-[5-methyl-2-(oxan-3-yl)phenoxy]cyclopropane-1-carboxamide (CID 154940947) is N-[(6-fluoro-2-pyridinyl)sulfonyl]-1-[5-methyl-2-(oxan-3-yl)phenoxy]cyclopropane-1-carboxamide.
What is the SMILES notation for N-[(6-fluoro-2-pyridinyl)sulfonyl]-1-[5-methyl-2-(oxan-3-yl)phenoxy]cyclopropane-1-carboxamide?
The canonical SMILES for N-[(6-fluoro-2-pyridinyl)sulfonyl]-1-[5-methyl-2-(oxan-3-yl)phenoxy]cyclopropane-1-carboxamide is Cc1ccc(C2CCCOC2)c(OC2(C(=O)NS(=O)(=O)c3cccc(F)n3)CC2)c1.
What is the InChIKey of N-[(6-fluoro-2-pyridinyl)sulfonyl]-1-[5-methyl-2-(oxan-3-yl)phenoxy]cyclopropane-1-carboxamide?
The InChIKey is FCCVIYJHRNNZGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN2O5S/c1-14-7-8-16(15-4-3-11-28-13-15)17(12-14)29-21(9-10-21)20(25)24-30(26,27)19-6-2-5-18(22)23-19/h2,5-8,12,15H,3-4,9-11,13H2,1H3,(H,24,25).
What are the key properties of N-[(6-fluoro-2-pyridinyl)sulfonyl]-1-[5-methyl-2-(oxan-3-yl)phenoxy]cyclopropane-1-carboxamide?
N-[(6-fluoro-2-pyridinyl)sulfonyl]-1-[5-methyl-2-(oxan-3-yl)phenoxy]cyclopropane-1-carboxamide has a molecular weight of 434.49 g/mol, XLogP of 2.84, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-fluoro-2-pyridinyl)sulfonyl]-1-[5-methyl-2-(oxan-3-yl)phenoxy]cyclopropane-1-carboxamide is sourced from PubChem (CID 154940947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).