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

C24H31N3O6S — CID 162713329

IUPACN-[[6-(3-hydroxypyrrolidin-1-yl)-2-pyridinyl]sulfonyl]-1-[5-methyl-2-(2-methylpropoxy)phenoxy]cyclopropane-1-carboxamide
SMILESCc1ccc(OCC(C)C)c(OC2(C(=O)NS(=O)(=O)c3cccc(N4CCC(O)C4)n3)CC2)c1
InChIInChI=1S/C24H31N3O6S/c1-16(2)15-32-19-8-7-17(3)13-20(19)33-24(10-11-24)23(29)26-34(30,31)22-6-4-5-21(25-22)27-12-9-18(28)14-27/h4-8,13,16,18,28H,9-12,14-15H2,1-3H3,(H,26,29)
InChIKeySXYOQDAUSHYXFO-UHFFFAOYSA-N
MW489.59 g/mol
LogP2.41
Rot. Bonds9

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

N-[[6-(3-hydroxypyrrolidin-1-yl)-2-pyridinyl]sulfonyl]-1-[5-methyl-2-(2-methylpropoxy)phenoxy]cyclopropane-1-carboxamide (PubChem CID 162713329) has the molecular formula C24H31N3O6S and a molecular weight of 489.59 g/mol. Its IUPAC name is N-[[6-(3-hydroxypyrrolidin-1-yl)-2-pyridinyl]sulfonyl]-1-[5-methyl-2-(2-methylpropoxy)phenoxy]cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[[6-(3-hydroxypyrrolidin-1-yl)-2-pyridinyl]sulfonyl]-1-[5-methyl-2-(2-methylpropoxy)phenoxy]cyclopropane-1-carboxamide
PubChem CID162713329
Molecular FormulaC24H31N3O6S
Molecular Weight489.59 g/mol
Exact Mass489.19
IUPAC NameN-[[6-(3-hydroxypyrrolidin-1-yl)-2-pyridinyl]sulfonyl]-1-[5-methyl-2-(2-methylpropoxy)phenoxy]cyclopropane-1-carboxamide
SMILESCc1ccc(OCC(C)C)c(OC2(C(=O)NS(=O)(=O)c3cccc(N4CCC(O)C4)n3)CC2)c1
InChIInChI=1S/C24H31N3O6S/c1-16(2)15-32-19-8-7-17(3)13-20(19)33-24(10-11-24)23(29)26-34(30,31)22-6-4-5-21(25-22)27-12-9-18(28)14-27/h4-8,13,16,18,28H,9-12,14-15H2,1-3H3,(H,26,29)
InChIKeySXYOQDAUSHYXFO-UHFFFAOYSA-N
XLogP2.41
TPSA118.06 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.59
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

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
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-bromo-5-chlorophenoxy)-N-[[6-[(3S)-3-hydroxypyrrolidin-1-yl]-2-pyridinyl]sulfonyl]cyclopropane-1-carboxamide
CID 156782034
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
1-(5-chloro-2-spiro[3.3]heptan-2-ylphenoxy)-N-[[6-[(3S)-3-hydroxypyrrolidin-1-yl]-2-pyridinyl]sulfonyl]cyclopropane-1-carboxamide
CID 156781898
N-[[6-[(3S)-3-hydroxypyrrolidin-1-yl]-2-pyridinyl]sulfonyl]-1-[5-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]phenoxy]cyclopropane-1-carboxamide
CID 154940873
1-(2-cyclohexyl-5-methylphenoxy)-N-[[6-[(2R)-2-methylmorpholin-4-yl]-2-pyridinyl]sulfonyl]cyclopropane-1-carboxamide
CID 162713327
1-[2-(7-azaspiro[3.5]nonan-7-yl)-5-chlorophenoxy]-N-[[6-[(3S)-3-hydroxypyrrolidin-1-yl]-2-pyridinyl]sulfonyl]cyclopropane-1-carboxamide;sulfane
CID 163551124
1-(5-chloro-2-spiro[3.3]heptan-2-ylphenoxy)-N-[[6-(3-hydroxypyrrolidin-1-yl)-2-pyridinyl]sulfonyl]cyclopentane-1-carboxamide
CID 175359522
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
1-[6-[[1-(2-cyclohexyl-5-methylphenoxy)cyclopropanecarbonyl]sulfamoyl]-2-pyridinyl]-4-methylpiperidine-4-carboxylic acid
CID 156782018
N-[[6-[(3R)-3-hydroxypyrrolidin-1-yl]-2-pyridinyl]sulfonyl]-1-[3-methyl-6-phenyl-2-(trifluoromethyl)phenoxy]cyclopropane-1-carboxamide
CID 175151797

Frequently Asked Questions

What is the IUPAC name of N-[[6-(3-hydroxypyrrolidin-1-yl)-2-pyridinyl]sulfonyl]-1-[5-methyl-2-(2-methylpropoxy)phenoxy]cyclopropane-1-carboxamide?
The IUPAC name of N-[[6-(3-hydroxypyrrolidin-1-yl)-2-pyridinyl]sulfonyl]-1-[5-methyl-2-(2-methylpropoxy)phenoxy]cyclopropane-1-carboxamide (CID 162713329) is N-[[6-(3-hydroxypyrrolidin-1-yl)-2-pyridinyl]sulfonyl]-1-[5-methyl-2-(2-methylpropoxy)phenoxy]cyclopropane-1-carboxamide.
What is the SMILES notation for N-[[6-(3-hydroxypyrrolidin-1-yl)-2-pyridinyl]sulfonyl]-1-[5-methyl-2-(2-methylpropoxy)phenoxy]cyclopropane-1-carboxamide?
The canonical SMILES for N-[[6-(3-hydroxypyrrolidin-1-yl)-2-pyridinyl]sulfonyl]-1-[5-methyl-2-(2-methylpropoxy)phenoxy]cyclopropane-1-carboxamide is Cc1ccc(OCC(C)C)c(OC2(C(=O)NS(=O)(=O)c3cccc(N4CCC(O)C4)n3)CC2)c1.
What is the InChIKey of N-[[6-(3-hydroxypyrrolidin-1-yl)-2-pyridinyl]sulfonyl]-1-[5-methyl-2-(2-methylpropoxy)phenoxy]cyclopropane-1-carboxamide?
The InChIKey is SXYOQDAUSHYXFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O6S/c1-16(2)15-32-19-8-7-17(3)13-20(19)33-24(10-11-24)23(29)26-34(30,31)22-6-4-5-21(25-22)27-12-9-18(28)14-27/h4-8,13,16,18,28H,9-12,14-15H2,1-3H3,(H,26,29).
What are the key properties of N-[[6-(3-hydroxypyrrolidin-1-yl)-2-pyridinyl]sulfonyl]-1-[5-methyl-2-(2-methylpropoxy)phenoxy]cyclopropane-1-carboxamide?
N-[[6-(3-hydroxypyrrolidin-1-yl)-2-pyridinyl]sulfonyl]-1-[5-methyl-2-(2-methylpropoxy)phenoxy]cyclopropane-1-carboxamide has a molecular weight of 489.59 g/mol, XLogP of 2.41, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(3-hydroxypyrrolidin-1-yl)-2-pyridinyl]sulfonyl]-1-[5-methyl-2-(2-methylpropoxy)phenoxy]cyclopropane-1-carboxamide is sourced from PubChem (CID 162713329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).