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

C20H21FN2O4S — CID 156781889

IUPACN-[(6-fluoro-2-pyridinyl)sulfonyl]-1-[5-methyl-2-(1-methylcyclopropyl)phenoxy]cyclopropane-1-carboxamide
SMILESCc1ccc(C2(C)CC2)c(OC2(C(=O)NS(=O)(=O)c3cccc(F)n3)CC2)c1
InChIInChI=1S/C20H21FN2O4S/c1-13-6-7-14(19(2)8-9-19)15(12-13)27-20(10-11-20)18(24)23-28(25,26)17-5-3-4-16(21)22-17/h3-7,12H,8-11H2,1-2H3,(H,23,24)
InChIKeyIEDGOHUDHYEIEZ-UHFFFAOYSA-N
MW404.46 g/mol
LogP3.00
Rot. Bonds6

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

N-[(6-fluoro-2-pyridinyl)sulfonyl]-1-[5-methyl-2-(1-methylcyclopropyl)phenoxy]cyclopropane-1-carboxamide (PubChem CID 156781889) has the molecular formula C20H21FN2O4S and a molecular weight of 404.46 g/mol. Its IUPAC name is N-[(6-fluoro-2-pyridinyl)sulfonyl]-1-[5-methyl-2-(1-methylcyclopropyl)phenoxy]cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[(6-fluoro-2-pyridinyl)sulfonyl]-1-[5-methyl-2-(1-methylcyclopropyl)phenoxy]cyclopropane-1-carboxamide
PubChem CID156781889
Molecular FormulaC20H21FN2O4S
Molecular Weight404.46 g/mol
Exact Mass404.12
IUPAC NameN-[(6-fluoro-2-pyridinyl)sulfonyl]-1-[5-methyl-2-(1-methylcyclopropyl)phenoxy]cyclopropane-1-carboxamide
SMILESCc1ccc(C2(C)CC2)c(OC2(C(=O)NS(=O)(=O)c3cccc(F)n3)CC2)c1
InChIInChI=1S/C20H21FN2O4S/c1-13-6-7-14(19(2)8-9-19)15(12-13)27-20(10-11-20)18(24)23-28(25,26)17-5-3-4-16(21)22-17/h3-7,12H,8-11H2,1-2H3,(H,23,24)
InChIKeyIEDGOHUDHYEIEZ-UHFFFAOYSA-N
XLogP3.00
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.46
LogP ≤ 53.00
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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Related Compounds

1-(2-cyclohexyl-5-methylphenoxy)-N-[(6-fluoro-2-pyridinyl)sulfonyl]cyclopropane-1-carboxamide
CID 154940949
1-(2-cyclopropyl-5-methylphenoxy)-N-[[6-[[(2S)-2-hydroxypropyl]amino]-2-pyridinyl]sulfonyl]cyclopropane-1-carboxamide
CID 156782087
1-[6-[[1-(2-cyclohexyl-5-methylphenoxy)cyclopropanecarbonyl]sulfamoyl]-2-pyridinyl]-4-methylpiperidine-4-carboxylic acid
CID 156782018
1-(2-cyclohexyl-5-methylphenoxy)-N-[[6-[[(2R)-2-hydroxypropyl]amino]-2-pyridinyl]sulfonyl]cyclopropane-1-carboxamide
CID 156781886
6-[6-[[1-(2-cyclohexyl-5-methylphenoxy)cyclopropanecarbonyl]sulfamoyl]-2-pyridinyl]-2,6-diazaspiro[3.3]heptane-2-carboxylic acid
CID 170170511
1-[2-(3,4-dihydro-2H-pyran-5-yl)-5-methylphenoxy]-N-[[6-[(3R)-3-(hydroxymethyl)piperidin-1-yl]-2-pyridinyl]sulfonyl]cyclopropane-1-carboxamide
CID 156782097
N-[[6-[(3S)-3-hydroxypyrrolidin-1-yl]-2-pyridinyl]sulfonyl]-1-[5-methyl-2-[4-(trifluoromethyl)-2-pyridinyl]phenoxy]cyclopropane-1-carboxamide
CID 154940972
1-[2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yloxy)-5-methylphenoxy]-N-[[6-[(3S)-3-hydroxypyrrolidin-1-yl]-2-pyridinyl]sulfonyl]cyclopropane-1-carboxamide
CID 156781919
1-(5-chloro-2-cyclohexylphenoxy)-N-[[6-(dimethylamino)-2-pyridinyl]sulfonyl]cyclopropane-1-carboxamide
CID 166963684
1-[5-chloro-2-(4,4-dimethylpiperidin-1-yl)phenoxy]-N-[[6-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]-2-pyridinyl]sulfonyl]cyclopropane-1-carboxamide
CID 156781879
N-[(6-amino-2-pyridinyl)sulfonyl]-7-[5-methyl-2-[1-(trifluoromethyl)cyclopropyl]phenoxy]heptanamide
CID 166963632
1-[5-chloro-2-(4,4-dimethylpiperidin-1-yl)phenoxy]-N-[[6-[(3S)-3-hydroxypyrrolidin-1-yl]-2-pyridinyl]sulfonyl]cyclopropane-1-carboxamide
CID 156781980

Frequently Asked Questions

What is the IUPAC name of N-[(6-fluoro-2-pyridinyl)sulfonyl]-1-[5-methyl-2-(1-methylcyclopropyl)phenoxy]cyclopropane-1-carboxamide?
The IUPAC name of N-[(6-fluoro-2-pyridinyl)sulfonyl]-1-[5-methyl-2-(1-methylcyclopropyl)phenoxy]cyclopropane-1-carboxamide (CID 156781889) is N-[(6-fluoro-2-pyridinyl)sulfonyl]-1-[5-methyl-2-(1-methylcyclopropyl)phenoxy]cyclopropane-1-carboxamide.
What is the SMILES notation for N-[(6-fluoro-2-pyridinyl)sulfonyl]-1-[5-methyl-2-(1-methylcyclopropyl)phenoxy]cyclopropane-1-carboxamide?
The canonical SMILES for N-[(6-fluoro-2-pyridinyl)sulfonyl]-1-[5-methyl-2-(1-methylcyclopropyl)phenoxy]cyclopropane-1-carboxamide is Cc1ccc(C2(C)CC2)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-(1-methylcyclopropyl)phenoxy]cyclopropane-1-carboxamide?
The InChIKey is IEDGOHUDHYEIEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2O4S/c1-13-6-7-14(19(2)8-9-19)15(12-13)27-20(10-11-20)18(24)23-28(25,26)17-5-3-4-16(21)22-17/h3-7,12H,8-11H2,1-2H3,(H,23,24).
What are the key properties of N-[(6-fluoro-2-pyridinyl)sulfonyl]-1-[5-methyl-2-(1-methylcyclopropyl)phenoxy]cyclopropane-1-carboxamide?
N-[(6-fluoro-2-pyridinyl)sulfonyl]-1-[5-methyl-2-(1-methylcyclopropyl)phenoxy]cyclopropane-1-carboxamide has a molecular weight of 404.46 g/mol, XLogP of 3.00, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-fluoro-2-pyridinyl)sulfonyl]-1-[5-methyl-2-(1-methylcyclopropyl)phenoxy]cyclopropane-1-carboxamide is sourced from PubChem (CID 156781889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).