1-(2,5-dimethylphenoxy)-N-[(6-fluoro-2-pyridinyl)sulfonyl]cyclopentane-1-carboxamide

C19H21FN2O4S — CID 154940879

IUPAC1-(2,5-dimethylphenoxy)-N-[(6-fluoro-2-pyridinyl)sulfonyl]cyclopentane-1-carboxamide
SMILESCc1ccc(C)c(OC2(C(=O)NS(=O)(=O)c3cccc(F)n3)CCCC2)c1
InChIInChI=1S/C19H21FN2O4S/c1-13-8-9-14(2)15(12-13)26-19(10-3-4-11-19)18(23)22-27(24,25)17-7-5-6-16(20)21-17/h5-9,12H,3-4,10-11H2,1-2H3,(H,22,23)
InChIKeyLVFSDTNIYRIDAE-UHFFFAOYSA-N
MW392.45 g/mol
LogP3.03
Rot. Bonds5

About 1-(2,5-dimethylphenoxy)-N-[(6-fluoro-2-pyridinyl)sulfonyl]cyclopentane-1-carboxamide

1-(2,5-dimethylphenoxy)-N-[(6-fluoro-2-pyridinyl)sulfonyl]cyclopentane-1-carboxamide (PubChem CID 154940879) has the molecular formula C19H21FN2O4S and a molecular weight of 392.45 g/mol. Its IUPAC name is 1-(2,5-dimethylphenoxy)-N-[(6-fluoro-2-pyridinyl)sulfonyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-(2,5-dimethylphenoxy)-N-[(6-fluoro-2-pyridinyl)sulfonyl]cyclopentane-1-carboxamide
PubChem CID154940879
Molecular FormulaC19H21FN2O4S
Molecular Weight392.45 g/mol
Exact Mass392.12
IUPAC Name1-(2,5-dimethylphenoxy)-N-[(6-fluoro-2-pyridinyl)sulfonyl]cyclopentane-1-carboxamide
SMILESCc1ccc(C)c(OC2(C(=O)NS(=O)(=O)c3cccc(F)n3)CCCC2)c1
InChIInChI=1S/C19H21FN2O4S/c1-13-8-9-14(2)15(12-13)26-19(10-3-4-11-19)18(23)22-27(24,25)17-7-5-6-16(20)21-17/h5-9,12H,3-4,10-11H2,1-2H3,(H,22,23)
InChIKeyLVFSDTNIYRIDAE-UHFFFAOYSA-N
XLogP3.03
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.45
LogP ≤ 53.03
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-(2,5-dimethylphenoxy)-N-[(6-fluoro-2-pyridinyl)sulfonyl]cyclopentane-1-carboxamide?
The IUPAC name of 1-(2,5-dimethylphenoxy)-N-[(6-fluoro-2-pyridinyl)sulfonyl]cyclopentane-1-carboxamide (CID 154940879) is 1-(2,5-dimethylphenoxy)-N-[(6-fluoro-2-pyridinyl)sulfonyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 1-(2,5-dimethylphenoxy)-N-[(6-fluoro-2-pyridinyl)sulfonyl]cyclopentane-1-carboxamide?
The canonical SMILES for 1-(2,5-dimethylphenoxy)-N-[(6-fluoro-2-pyridinyl)sulfonyl]cyclopentane-1-carboxamide is Cc1ccc(C)c(OC2(C(=O)NS(=O)(=O)c3cccc(F)n3)CCCC2)c1.
What is the InChIKey of 1-(2,5-dimethylphenoxy)-N-[(6-fluoro-2-pyridinyl)sulfonyl]cyclopentane-1-carboxamide?
The InChIKey is LVFSDTNIYRIDAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O4S/c1-13-8-9-14(2)15(12-13)26-19(10-3-4-11-19)18(23)22-27(24,25)17-7-5-6-16(20)21-17/h5-9,12H,3-4,10-11H2,1-2H3,(H,22,23).
What are the key properties of 1-(2,5-dimethylphenoxy)-N-[(6-fluoro-2-pyridinyl)sulfonyl]cyclopentane-1-carboxamide?
1-(2,5-dimethylphenoxy)-N-[(6-fluoro-2-pyridinyl)sulfonyl]cyclopentane-1-carboxamide has a molecular weight of 392.45 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylphenoxy)-N-[(6-fluoro-2-pyridinyl)sulfonyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 154940879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).