6-[6-[[1-(2-cyclohexyl-5-methylphenoxy)cyclopropanecarbonyl]sulfamoyl]-2-pyridinyl]-2,6-diazaspiro[3.3]heptane-2-carboxylic acid

C28H34N4O6S — CID 170170511

IUPAC6-[6-[[1-(2-cyclohexyl-5-methylphenoxy)cyclopropanecarbonyl]sulfamoyl]-2-pyridinyl]-2,6-diazaspiro[3.3]heptane-2-carboxylic acid
SMILESCc1ccc(C2CCCCC2)c(OC2(C(=O)NS(=O)(=O)c3cccc(N4CC5(CN(C(=O)O)C5)C4)n3)CC2)c1
InChIInChI=1S/C28H34N4O6S/c1-19-10-11-21(20-6-3-2-4-7-20)22(14-19)38-28(12-13-28)25(33)30-39(36,37)24-9-5-8-23(29-24)31-15-27(16-31)17-32(18-27)26(34)35/h5,8-11,14,20H,2-4,6-7,12-13,15-18H2,1H3,(H,30,33)(H,34,35)
InChIKeyQRAQWYYSNULZSR-UHFFFAOYSA-N
MW554.67 g/mol
LogP3.65
Rot. Bonds7

About 6-[6-[[1-(2-cyclohexyl-5-methylphenoxy)cyclopropanecarbonyl]sulfamoyl]-2-pyridinyl]-2,6-diazaspiro[3.3]heptane-2-carboxylic acid

6-[6-[[1-(2-cyclohexyl-5-methylphenoxy)cyclopropanecarbonyl]sulfamoyl]-2-pyridinyl]-2,6-diazaspiro[3.3]heptane-2-carboxylic acid (PubChem CID 170170511) has the molecular formula C28H34N4O6S and a molecular weight of 554.67 g/mol. Its IUPAC name is 6-[6-[[1-(2-cyclohexyl-5-methylphenoxy)cyclopropanecarbonyl]sulfamoyl]-2-pyridinyl]-2,6-diazaspiro[3.3]heptane-2-carboxylic acid.

Molecular Properties

Compound Name6-[6-[[1-(2-cyclohexyl-5-methylphenoxy)cyclopropanecarbonyl]sulfamoyl]-2-pyridinyl]-2,6-diazaspiro[3.3]heptane-2-carboxylic acid
PubChem CID170170511
Molecular FormulaC28H34N4O6S
Molecular Weight554.67 g/mol
Exact Mass554.22
IUPAC Name6-[6-[[1-(2-cyclohexyl-5-methylphenoxy)cyclopropanecarbonyl]sulfamoyl]-2-pyridinyl]-2,6-diazaspiro[3.3]heptane-2-carboxylic acid
SMILESCc1ccc(C2CCCCC2)c(OC2(C(=O)NS(=O)(=O)c3cccc(N4CC5(CN(C(=O)O)C5)C4)n3)CC2)c1
InChIInChI=1S/C28H34N4O6S/c1-19-10-11-21(20-6-3-2-4-7-20)22(14-19)38-28(12-13-28)25(33)30-39(36,37)24-9-5-8-23(29-24)31-15-27(16-31)17-32(18-27)26(34)35/h5,8-11,14,20H,2-4,6-7,12-13,15-18H2,1H3,(H,30,33)(H,34,35)
InChIKeyQRAQWYYSNULZSR-UHFFFAOYSA-N
XLogP3.65
TPSA129.14 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500554.67
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 6-[6-[[1-(2-cyclohexyl-5-methylphenoxy)cyclopropanecarbonyl]sulfamoyl]-2-pyridinyl]-2,6-diazaspiro[3.3]heptane-2-carboxylic acid with MolForge

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Related Compounds

N-[[6-[4-amino-4-(trifluoromethyl)piperidin-1-yl]-2-pyridinyl]sulfonyl]-1-(2-cyclohexyl-5-methylphenoxy)cyclopropane-1-carboxamide
CID 154940887
N-[[6-[4-amino-4-(trifluoromethyl)piperidin-1-yl]-2-pyridinyl]sulfonyl]-1-[5-methyl-2-[3-(trifluoromethyl)phenyl]phenoxy]cyclopropane-1-carboxamide
CID 162713296
[1-[6-[[1-(2-Cyclohexyl-5-methylphenoxy)cyclopropanecarbonyl]sulfamoyl]-2-pyridinyl]-4-(fluoromethyl)piperidin-4-yl] carbamate
CID 154940866
N-[(6-amino-2-pyridinyl)sulfonyl]-1-[2-(3,3-difluorocyclohexyl)-5-methylphenoxy]cyclopropane-1-carboxamide
CID 154940870
N-[[6-[(3S)-3-hydroxypyrrolidin-1-yl]-2-pyridinyl]sulfonyl]-1-[5-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]phenoxy]cyclopropane-1-carboxamide
CID 154940873
N-[(6-amino-2-pyridinyl)sulfonyl]-1-[5-methyl-2-[2-(trifluoromethyl)cyclopropyl]phenoxy]cyclopropane-1-carboxamide
CID 154940883
1-[2-(4,4-difluorocyclohexyl)-5-methylphenoxy]-N-[[6-[[(2R)-2-hydroxypropyl]amino]-2-pyridinyl]sulfonyl]cyclopropane-1-carboxamide
CID 154940896
1-[2-(4,4-difluorocyclohexyl)-5-methylphenoxy]-N-[[6-(2-hydroxypropylamino)-2-pyridinyl]sulfonyl]cyclopropane-1-carboxamide
CID 154940897
N-[[6-[4-amino-4-(fluoromethyl)piperidin-1-yl]-2-pyridinyl]sulfonyl]-1-(2-cyclohexyl-5-methylphenoxy)cyclopropane-1-carboxamide
CID 154940898
1-[2-(4,4-difluorocyclohexyl)-5-methylphenoxy]-N-[[6-[3-(hydroxymethyl)piperidin-1-yl]-2-pyridinyl]sulfonyl]cyclopropane-1-carboxamide
CID 154940937
N-[[6-(3-hydroxy-3-methylazetidin-1-yl)-2-pyridinyl]sulfonyl]-1-[5-methyl-2-[3-(trifluoromethoxy)phenyl]phenoxy]cyclopropane-1-carboxamide
CID 154940955
N-[(6-amino-2-pyridinyl)sulfonyl]-1-[5-methyl-2-[(1R,2R)-2-(trifluoromethyl)cyclopropyl]phenoxy]cyclopropane-1-carboxamide
CID 156781930

Frequently Asked Questions

What is the IUPAC name of 6-[6-[[1-(2-cyclohexyl-5-methylphenoxy)cyclopropanecarbonyl]sulfamoyl]-2-pyridinyl]-2,6-diazaspiro[3.3]heptane-2-carboxylic acid?
The IUPAC name of 6-[6-[[1-(2-cyclohexyl-5-methylphenoxy)cyclopropanecarbonyl]sulfamoyl]-2-pyridinyl]-2,6-diazaspiro[3.3]heptane-2-carboxylic acid (CID 170170511) is 6-[6-[[1-(2-cyclohexyl-5-methylphenoxy)cyclopropanecarbonyl]sulfamoyl]-2-pyridinyl]-2,6-diazaspiro[3.3]heptane-2-carboxylic acid.
What is the SMILES notation for 6-[6-[[1-(2-cyclohexyl-5-methylphenoxy)cyclopropanecarbonyl]sulfamoyl]-2-pyridinyl]-2,6-diazaspiro[3.3]heptane-2-carboxylic acid?
The canonical SMILES for 6-[6-[[1-(2-cyclohexyl-5-methylphenoxy)cyclopropanecarbonyl]sulfamoyl]-2-pyridinyl]-2,6-diazaspiro[3.3]heptane-2-carboxylic acid is Cc1ccc(C2CCCCC2)c(OC2(C(=O)NS(=O)(=O)c3cccc(N4CC5(CN(C(=O)O)C5)C4)n3)CC2)c1.
What is the InChIKey of 6-[6-[[1-(2-cyclohexyl-5-methylphenoxy)cyclopropanecarbonyl]sulfamoyl]-2-pyridinyl]-2,6-diazaspiro[3.3]heptane-2-carboxylic acid?
The InChIKey is QRAQWYYSNULZSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N4O6S/c1-19-10-11-21(20-6-3-2-4-7-20)22(14-19)38-28(12-13-28)25(33)30-39(36,37)24-9-5-8-23(29-24)31-15-27(16-31)17-32(18-27)26(34)35/h5,8-11,14,20H,2-4,6-7,12-13,15-18H2,1H3,(H,30,33)(H,34,35).
What are the key properties of 6-[6-[[1-(2-cyclohexyl-5-methylphenoxy)cyclopropanecarbonyl]sulfamoyl]-2-pyridinyl]-2,6-diazaspiro[3.3]heptane-2-carboxylic acid?
6-[6-[[1-(2-cyclohexyl-5-methylphenoxy)cyclopropanecarbonyl]sulfamoyl]-2-pyridinyl]-2,6-diazaspiro[3.3]heptane-2-carboxylic acid has a molecular weight of 554.67 g/mol, XLogP of 3.65, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[6-[[1-(2-cyclohexyl-5-methylphenoxy)cyclopropanecarbonyl]sulfamoyl]-2-pyridinyl]-2,6-diazaspiro[3.3]heptane-2-carboxylic acid is sourced from PubChem (CID 170170511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).