1-[6-[[1-(2-cyclohexyl-5-methylphenoxy)cyclopropanecarbonyl]sulfamoyl]-2-pyridinyl]-4-methylpiperidine-4-carboxylic acid

C29H37N3O6S — CID 156782018

IUPAC1-[6-[[1-(2-cyclohexyl-5-methylphenoxy)cyclopropanecarbonyl]sulfamoyl]-2-pyridinyl]-4-methylpiperidine-4-carboxylic acid
SMILESCc1ccc(C2CCCCC2)c(OC2(C(=O)NS(=O)(=O)c3cccc(N4CCC(C)(C(=O)O)CC4)n3)CC2)c1
InChIInChI=1S/C29H37N3O6S/c1-20-11-12-22(21-7-4-3-5-8-21)23(19-20)38-29(13-14-29)26(33)31-39(36,37)25-10-6-9-24(30-25)32-17-15-28(2,16-18-32)27(34)35/h6,9-12,19,21H,3-5,7-8,13-18H2,1-2H3,(H,31,33)(H,34,35)
InChIKeyIXNMVAMOKZBXSE-UHFFFAOYSA-N
MW555.70 g/mol
LogP4.55
Rot. Bonds8

About 1-[6-[[1-(2-cyclohexyl-5-methylphenoxy)cyclopropanecarbonyl]sulfamoyl]-2-pyridinyl]-4-methylpiperidine-4-carboxylic acid

1-[6-[[1-(2-cyclohexyl-5-methylphenoxy)cyclopropanecarbonyl]sulfamoyl]-2-pyridinyl]-4-methylpiperidine-4-carboxylic acid (PubChem CID 156782018) has the molecular formula C29H37N3O6S and a molecular weight of 555.70 g/mol. Its IUPAC name is 1-[6-[[1-(2-cyclohexyl-5-methylphenoxy)cyclopropanecarbonyl]sulfamoyl]-2-pyridinyl]-4-methylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[6-[[1-(2-cyclohexyl-5-methylphenoxy)cyclopropanecarbonyl]sulfamoyl]-2-pyridinyl]-4-methylpiperidine-4-carboxylic acid
PubChem CID156782018
Molecular FormulaC29H37N3O6S
Molecular Weight555.70 g/mol
Exact Mass555.24
IUPAC Name1-[6-[[1-(2-cyclohexyl-5-methylphenoxy)cyclopropanecarbonyl]sulfamoyl]-2-pyridinyl]-4-methylpiperidine-4-carboxylic acid
SMILESCc1ccc(C2CCCCC2)c(OC2(C(=O)NS(=O)(=O)c3cccc(N4CCC(C)(C(=O)O)CC4)n3)CC2)c1
InChIInChI=1S/C29H37N3O6S/c1-20-11-12-22(21-7-4-3-5-8-21)23(19-20)38-29(13-14-29)26(33)31-39(36,37)25-10-6-9-24(30-25)32-17-15-28(2,16-18-32)27(34)35/h6,9-12,19,21H,3-5,7-8,13-18H2,1-2H3,(H,31,33)(H,34,35)
InChIKeyIXNMVAMOKZBXSE-UHFFFAOYSA-N
XLogP4.55
TPSA125.90 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500555.70
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-[6-[[1-(2-cyclohexyl-5-methylphenoxy)cyclopropanecarbonyl]sulfamoyl]-2-pyridinyl]-4-methylpiperidine-4-carboxylic acid with MolForge

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Related Compounds

6-[6-[[1-(2-cyclohexyl-5-methylphenoxy)cyclopropanecarbonyl]sulfamoyl]-2-pyridinyl]-2,6-diazaspiro[3.3]heptane-2-carboxylic acid
CID 170170511
1-(2-cyclohexyl-5-methylphenoxy)-N-[[6-[(2R)-2-methylmorpholin-4-yl]-2-pyridinyl]sulfonyl]cyclopropane-1-carboxamide
CID 162713327
1-(2-cyclohexyl-5-methylphenoxy)-N-[(6-fluoro-2-pyridinyl)sulfonyl]cyclopropane-1-carboxamide
CID 154940949
1-(5-chloro-2-cyclohexylphenoxy)-N-[[6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-2-pyridinyl]sulfonyl]cyclopropane-1-carboxamide
CID 166963577
1-(2-cyclohexyl-5-methylphenoxy)-N-[[6-[[(2R)-2-hydroxypropyl]amino]-2-pyridinyl]sulfonyl]cyclopropane-1-carboxamide
CID 156781886
1-(5-chloro-2-cyclohexylphenoxy)-N-[[6-(dimethylamino)-2-pyridinyl]sulfonyl]cyclopropane-1-carboxamide
CID 166963684
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-(2-cyclopropyl-5-methylphenoxy)-N-[[6-[[(2S)-2-hydroxypropyl]amino]-2-pyridinyl]sulfonyl]cyclopropane-1-carboxamide
CID 156782087
N-[[6-(3-hydroxypyrrolidin-1-yl)-2-pyridinyl]sulfonyl]-1-[5-methyl-2-(2-methylpropoxy)phenoxy]cyclopropane-1-carboxamide
CID 162713329
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
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-amino-2-pyridinyl)sulfonyl]-1-(2-cycloheptyl-6-methylphenoxy)cyclopropane-1-carboxamide
CID 170170145

Frequently Asked Questions

What is the IUPAC name of 1-[6-[[1-(2-cyclohexyl-5-methylphenoxy)cyclopropanecarbonyl]sulfamoyl]-2-pyridinyl]-4-methylpiperidine-4-carboxylic acid?
The IUPAC name of 1-[6-[[1-(2-cyclohexyl-5-methylphenoxy)cyclopropanecarbonyl]sulfamoyl]-2-pyridinyl]-4-methylpiperidine-4-carboxylic acid (CID 156782018) is 1-[6-[[1-(2-cyclohexyl-5-methylphenoxy)cyclopropanecarbonyl]sulfamoyl]-2-pyridinyl]-4-methylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-[6-[[1-(2-cyclohexyl-5-methylphenoxy)cyclopropanecarbonyl]sulfamoyl]-2-pyridinyl]-4-methylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-[6-[[1-(2-cyclohexyl-5-methylphenoxy)cyclopropanecarbonyl]sulfamoyl]-2-pyridinyl]-4-methylpiperidine-4-carboxylic acid is Cc1ccc(C2CCCCC2)c(OC2(C(=O)NS(=O)(=O)c3cccc(N4CCC(C)(C(=O)O)CC4)n3)CC2)c1.
What is the InChIKey of 1-[6-[[1-(2-cyclohexyl-5-methylphenoxy)cyclopropanecarbonyl]sulfamoyl]-2-pyridinyl]-4-methylpiperidine-4-carboxylic acid?
The InChIKey is IXNMVAMOKZBXSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H37N3O6S/c1-20-11-12-22(21-7-4-3-5-8-21)23(19-20)38-29(13-14-29)26(33)31-39(36,37)25-10-6-9-24(30-25)32-17-15-28(2,16-18-32)27(34)35/h6,9-12,19,21H,3-5,7-8,13-18H2,1-2H3,(H,31,33)(H,34,35).
What are the key properties of 1-[6-[[1-(2-cyclohexyl-5-methylphenoxy)cyclopropanecarbonyl]sulfamoyl]-2-pyridinyl]-4-methylpiperidine-4-carboxylic acid?
1-[6-[[1-(2-cyclohexyl-5-methylphenoxy)cyclopropanecarbonyl]sulfamoyl]-2-pyridinyl]-4-methylpiperidine-4-carboxylic acid has a molecular weight of 555.70 g/mol, XLogP of 4.55, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[[1-(2-cyclohexyl-5-methylphenoxy)cyclopropanecarbonyl]sulfamoyl]-2-pyridinyl]-4-methylpiperidine-4-carboxylic acid is sourced from PubChem (CID 156782018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).