methyl 5-[[4-[[(2-cyclohexylacetyl)amino]methyl]phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate

C23H27N3O6S — CID 19928102

IUPACmethyl 5-[[4-[[(2-cyclohexylacetyl)amino]methyl]phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate
SMILESCOC(=O)c1ccc(C(=O)NS(=O)(=O)c2ccc(CNC(=O)CC3CCCCC3)cc2)cn1
InChIInChI=1S/C23H27N3O6S/c1-32-23(29)20-12-9-18(15-24-20)22(28)26-33(30,31)19-10-7-17(8-11-19)14-25-21(27)13-16-5-3-2-4-6-16/h7-12,15-16H,2-6,13-14H2,1H3,(H,25,27)(H,26,28)
InChIKeyXBBNNOABIQQAAG-UHFFFAOYSA-N
MW473.55 g/mol
LogP2.57
Rot. Bonds8

About methyl 5-[[4-[[(2-cyclohexylacetyl)amino]methyl]phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate

methyl 5-[[4-[[(2-cyclohexylacetyl)amino]methyl]phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate (PubChem CID 19928102) has the molecular formula C23H27N3O6S and a molecular weight of 473.55 g/mol. Its IUPAC name is methyl 5-[[4-[[(2-cyclohexylacetyl)amino]methyl]phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[[4-[[(2-cyclohexylacetyl)amino]methyl]phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate
PubChem CID19928102
Molecular FormulaC23H27N3O6S
Molecular Weight473.55 g/mol
Exact Mass473.16
IUPAC Namemethyl 5-[[4-[[(2-cyclohexylacetyl)amino]methyl]phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate
SMILESCOC(=O)c1ccc(C(=O)NS(=O)(=O)c2ccc(CNC(=O)CC3CCCCC3)cc2)cn1
InChIInChI=1S/C23H27N3O6S/c1-32-23(29)20-12-9-18(15-24-20)22(28)26-33(30,31)19-10-7-17(8-11-19)14-25-21(27)13-16-5-3-2-4-6-16/h7-12,15-16H,2-6,13-14H2,1H3,(H,25,27)(H,26,28)
InChIKeyXBBNNOABIQQAAG-UHFFFAOYSA-N
XLogP2.57
TPSA131.53 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.55
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze methyl 5-[[4-[[(2-cyclohexylacetyl)amino]methyl]phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate with MolForge

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Related Compounds

5-[[4-[2-[(2-cyclohexylacetyl)amino]ethyl]phenyl]sulfonylcarbamoyl]pyridine-2-carboxylic acid
CID 19928229
methyl 5-[[4-(ethylcarbamoyl)phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate
CID 19928397
[5-[[4-[2-[(2-cyclohexylacetyl)amino]ethyl]phenyl]sulfonylcarbamoyl]-2-pyridinyl] propan-2-yl carbonate
CID 67749206
methyl 5-[[4-[2-[(2-phenoxyacetyl)amino]ethyl]phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate
CID 19928421
cyclohexyl 5-[[4-(butylcarbamoyl)phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate
CID 19928175
methyl 5-[[4-(dibutylcarbamoyl)phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate
CID 19928498
[5-[[3-[2-[(2-cyclohexylacetyl)amino]ethyl]phenyl]sulfonylcarbamoyl]-2-pyridinyl] methyl carbonate
CID 67749394
5-N-[4-(cyclohexanecarbonylamino)phenyl]sulfonyl-2-N-(2-methoxyethyl)pyridine-2,5-dicarboxamide
CID 19970523
cyclohexyl 5-[[4-(4-phenylbutylcarbamoyl)phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate
CID 19928433
cyclobutyl 5-[[4-[2-[(4-ethoxybenzoyl)amino]ethyl]phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate
CID 19928614
propan-2-yl 5-[[4-(ethylcarbamoyl)phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate
CID 67782879
methyl 5-[2-[4-(cyclohexylcarbamoylsulfamoyl)phenyl]ethylcarbamoyl]pyrazine-2-carboxylate
CID 59767886

Frequently Asked Questions

What is the IUPAC name of methyl 5-[[4-[[(2-cyclohexylacetyl)amino]methyl]phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate?
The IUPAC name of methyl 5-[[4-[[(2-cyclohexylacetyl)amino]methyl]phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate (CID 19928102) is methyl 5-[[4-[[(2-cyclohexylacetyl)amino]methyl]phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate.
What is the SMILES notation for methyl 5-[[4-[[(2-cyclohexylacetyl)amino]methyl]phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate?
The canonical SMILES for methyl 5-[[4-[[(2-cyclohexylacetyl)amino]methyl]phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate is COC(=O)c1ccc(C(=O)NS(=O)(=O)c2ccc(CNC(=O)CC3CCCCC3)cc2)cn1.
What is the InChIKey of methyl 5-[[4-[[(2-cyclohexylacetyl)amino]methyl]phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate?
The InChIKey is XBBNNOABIQQAAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O6S/c1-32-23(29)20-12-9-18(15-24-20)22(28)26-33(30,31)19-10-7-17(8-11-19)14-25-21(27)13-16-5-3-2-4-6-16/h7-12,15-16H,2-6,13-14H2,1H3,(H,25,27)(H,26,28).
What are the key properties of methyl 5-[[4-[[(2-cyclohexylacetyl)amino]methyl]phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate?
methyl 5-[[4-[[(2-cyclohexylacetyl)amino]methyl]phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate has a molecular weight of 473.55 g/mol, XLogP of 2.57, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[4-[[(2-cyclohexylacetyl)amino]methyl]phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate is sourced from PubChem (CID 19928102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).