cyclohexyl 5-[[4-(butylcarbamoyl)phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate

C24H29N3O6S — CID 19928175

IUPACcyclohexyl 5-[[4-(butylcarbamoyl)phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate
SMILESCCCCNC(=O)c1ccc(S(=O)(=O)NC(=O)c2ccc(C(=O)OC3CCCCC3)nc2)cc1
InChIInChI=1S/C24H29N3O6S/c1-2-3-15-25-22(28)17-9-12-20(13-10-17)34(31,32)27-23(29)18-11-14-21(26-16-18)24(30)33-19-7-5-4-6-8-19/h9-14,16,19H,2-8,15H2,1H3,(H,25,28)(H,27,29)
InChIKeyIVXYFLSNRBMJDK-UHFFFAOYSA-N
MW487.58 g/mol
LogP3.22
Rot. Bonds9

About cyclohexyl 5-[[4-(butylcarbamoyl)phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate

cyclohexyl 5-[[4-(butylcarbamoyl)phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate (PubChem CID 19928175) has the molecular formula C24H29N3O6S and a molecular weight of 487.58 g/mol. Its IUPAC name is cyclohexyl 5-[[4-(butylcarbamoyl)phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate.

Molecular Properties

Compound Namecyclohexyl 5-[[4-(butylcarbamoyl)phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate
PubChem CID19928175
Molecular FormulaC24H29N3O6S
Molecular Weight487.58 g/mol
Exact Mass487.18
IUPAC Namecyclohexyl 5-[[4-(butylcarbamoyl)phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate
SMILESCCCCNC(=O)c1ccc(S(=O)(=O)NC(=O)c2ccc(C(=O)OC3CCCCC3)nc2)cc1
InChIInChI=1S/C24H29N3O6S/c1-2-3-15-25-22(28)17-9-12-20(13-10-17)34(31,32)27-23(29)18-11-14-21(26-16-18)24(30)33-19-7-5-4-6-8-19/h9-14,16,19H,2-8,15H2,1H3,(H,25,28)(H,27,29)
InChIKeyIVXYFLSNRBMJDK-UHFFFAOYSA-N
XLogP3.22
TPSA131.53 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.58
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

cyclohexyl 5-[[4-(4-phenylbutylcarbamoyl)phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate
CID 19928433
ethyl 5-[[4-(butylcarbamoyl)phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate
CID 19928116
cyclobutyl 5-[[4-[2-[(4-ethoxybenzoyl)amino]ethyl]phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate
CID 19928614
propyl 5-[[4-(hexylcarbamoyl)phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate
CID 19928501
methyl 5-[[4-(ethylcarbamoyl)phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate
CID 19928397
propan-2-yl 5-[[4-(ethylcarbamoyl)phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate
CID 67782879
methyl 5-[[4-(dibutylcarbamoyl)phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate
CID 19928498
4-(cyclohexylsulfamoyl)-N-pentylbenzamide
CID 109059553
5-N-[3-(hexylcarbamoyl)phenyl]sulfonyl-2-N-(2-hydroxyethyl)pyridine-2,5-dicarboxamide
CID 19970700
methyl 5-[[4-[[(2-cyclohexylacetyl)amino]methyl]phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate
CID 19928102
5-[[4-(3-phenylpropylcarbamoyl)phenyl]sulfonylcarbamoyl]pyridine-2-carboxylic acid
CID 19928149
5-[[4-(ethylcarbamoyl)phenyl]sulfonylcarbamoyl]pyridine-2-carboxylic acid
CID 19928163

Frequently Asked Questions

What is the IUPAC name of cyclohexyl 5-[[4-(butylcarbamoyl)phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate?
The IUPAC name of cyclohexyl 5-[[4-(butylcarbamoyl)phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate (CID 19928175) is cyclohexyl 5-[[4-(butylcarbamoyl)phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate.
What is the SMILES notation for cyclohexyl 5-[[4-(butylcarbamoyl)phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate?
The canonical SMILES for cyclohexyl 5-[[4-(butylcarbamoyl)phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate is CCCCNC(=O)c1ccc(S(=O)(=O)NC(=O)c2ccc(C(=O)OC3CCCCC3)nc2)cc1.
What is the InChIKey of cyclohexyl 5-[[4-(butylcarbamoyl)phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate?
The InChIKey is IVXYFLSNRBMJDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O6S/c1-2-3-15-25-22(28)17-9-12-20(13-10-17)34(31,32)27-23(29)18-11-14-21(26-16-18)24(30)33-19-7-5-4-6-8-19/h9-14,16,19H,2-8,15H2,1H3,(H,25,28)(H,27,29).
What are the key properties of cyclohexyl 5-[[4-(butylcarbamoyl)phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate?
cyclohexyl 5-[[4-(butylcarbamoyl)phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate has a molecular weight of 487.58 g/mol, XLogP of 3.22, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl 5-[[4-(butylcarbamoyl)phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate is sourced from PubChem (CID 19928175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).