1-(2-cyclohexyl-5-methylphenoxy)-N-[(6-fluoro-2-pyridinyl)sulfonyl]cyclopropane-1-carboxamide

C22H25FN2O4S — CID 154940949

IUPAC1-(2-cyclohexyl-5-methylphenoxy)-N-[(6-fluoro-2-pyridinyl)sulfonyl]cyclopropane-1-carboxamide
SMILESCc1ccc(C2CCCCC2)c(OC2(C(=O)NS(=O)(=O)c3cccc(F)n3)CC2)c1
InChIInChI=1S/C22H25FN2O4S/c1-15-10-11-17(16-6-3-2-4-7-16)18(14-15)29-22(12-13-22)21(26)25-30(27,28)20-9-5-8-19(23)24-20/h5,8-11,14,16H,2-4,6-7,12-13H2,1H3,(H,25,26)
InChIKeyITHBIIKNIJLAKM-UHFFFAOYSA-N
MW432.52 g/mol
LogP3.99
Rot. Bonds6

About 1-(2-cyclohexyl-5-methylphenoxy)-N-[(6-fluoro-2-pyridinyl)sulfonyl]cyclopropane-1-carboxamide

1-(2-cyclohexyl-5-methylphenoxy)-N-[(6-fluoro-2-pyridinyl)sulfonyl]cyclopropane-1-carboxamide (PubChem CID 154940949) has the molecular formula C22H25FN2O4S and a molecular weight of 432.52 g/mol. Its IUPAC name is 1-(2-cyclohexyl-5-methylphenoxy)-N-[(6-fluoro-2-pyridinyl)sulfonyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(2-cyclohexyl-5-methylphenoxy)-N-[(6-fluoro-2-pyridinyl)sulfonyl]cyclopropane-1-carboxamide
PubChem CID154940949
Molecular FormulaC22H25FN2O4S
Molecular Weight432.52 g/mol
Exact Mass432.15
IUPAC Name1-(2-cyclohexyl-5-methylphenoxy)-N-[(6-fluoro-2-pyridinyl)sulfonyl]cyclopropane-1-carboxamide
SMILESCc1ccc(C2CCCCC2)c(OC2(C(=O)NS(=O)(=O)c3cccc(F)n3)CC2)c1
InChIInChI=1S/C22H25FN2O4S/c1-15-10-11-17(16-6-3-2-4-7-16)18(14-15)29-22(12-13-22)21(26)25-30(27,28)20-9-5-8-19(23)24-20/h5,8-11,14,16H,2-4,6-7,12-13H2,1H3,(H,25,26)
InChIKeyITHBIIKNIJLAKM-UHFFFAOYSA-N
XLogP3.99
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.52
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 1-(2-cyclohexyl-5-methylphenoxy)-N-[(6-fluoro-2-pyridinyl)sulfonyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-(2-cyclohexyl-5-methylphenoxy)-N-[(6-fluoro-2-pyridinyl)sulfonyl]cyclopropane-1-carboxamide (CID 154940949) is 1-(2-cyclohexyl-5-methylphenoxy)-N-[(6-fluoro-2-pyridinyl)sulfonyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(2-cyclohexyl-5-methylphenoxy)-N-[(6-fluoro-2-pyridinyl)sulfonyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-(2-cyclohexyl-5-methylphenoxy)-N-[(6-fluoro-2-pyridinyl)sulfonyl]cyclopropane-1-carboxamide is Cc1ccc(C2CCCCC2)c(OC2(C(=O)NS(=O)(=O)c3cccc(F)n3)CC2)c1.
What is the InChIKey of 1-(2-cyclohexyl-5-methylphenoxy)-N-[(6-fluoro-2-pyridinyl)sulfonyl]cyclopropane-1-carboxamide?
The InChIKey is ITHBIIKNIJLAKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN2O4S/c1-15-10-11-17(16-6-3-2-4-7-16)18(14-15)29-22(12-13-22)21(26)25-30(27,28)20-9-5-8-19(23)24-20/h5,8-11,14,16H,2-4,6-7,12-13H2,1H3,(H,25,26).
What are the key properties of 1-(2-cyclohexyl-5-methylphenoxy)-N-[(6-fluoro-2-pyridinyl)sulfonyl]cyclopropane-1-carboxamide?
1-(2-cyclohexyl-5-methylphenoxy)-N-[(6-fluoro-2-pyridinyl)sulfonyl]cyclopropane-1-carboxamide has a molecular weight of 432.52 g/mol, XLogP of 3.99, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclohexyl-5-methylphenoxy)-N-[(6-fluoro-2-pyridinyl)sulfonyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 154940949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).