[5-[[3-(cyclohexylcarbamoyl)phenyl]sulfonylcarbamoyl]-2-pyridinyl] propyl carbonate

C23H27N3O7S — CID 67749274

IUPAC[5-[[3-(cyclohexylcarbamoyl)phenyl]sulfonylcarbamoyl]-2-pyridinyl] propyl carbonate
SMILESCCCOC(=O)Oc1ccc(C(=O)NS(=O)(=O)c2cccc(C(=O)NC3CCCCC3)c2)cn1
InChIInChI=1S/C23H27N3O7S/c1-2-13-32-23(29)33-20-12-11-17(15-24-20)22(28)26-34(30,31)19-10-6-7-16(14-19)21(27)25-18-8-4-3-5-9-18/h6-7,10-12,14-15,18H,2-5,8-9,13H2,1H3,(H,25,27)(H,26,28)
InChIKeyYWKQYBAUGCXTJR-UHFFFAOYSA-N
MW489.55 g/mol
LogP3.19
Rot. Bonds8

About [5-[[3-(cyclohexylcarbamoyl)phenyl]sulfonylcarbamoyl]-2-pyridinyl] propyl carbonate

[5-[[3-(cyclohexylcarbamoyl)phenyl]sulfonylcarbamoyl]-2-pyridinyl] propyl carbonate (PubChem CID 67749274) has the molecular formula C23H27N3O7S and a molecular weight of 489.55 g/mol. Its IUPAC name is [5-[[3-(cyclohexylcarbamoyl)phenyl]sulfonylcarbamoyl]-2-pyridinyl] propyl carbonate.

Molecular Properties

Compound Name[5-[[3-(cyclohexylcarbamoyl)phenyl]sulfonylcarbamoyl]-2-pyridinyl] propyl carbonate
PubChem CID67749274
Molecular FormulaC23H27N3O7S
Molecular Weight489.55 g/mol
Exact Mass489.16
IUPAC Name[5-[[3-(cyclohexylcarbamoyl)phenyl]sulfonylcarbamoyl]-2-pyridinyl] propyl carbonate
SMILESCCCOC(=O)Oc1ccc(C(=O)NS(=O)(=O)c2cccc(C(=O)NC3CCCCC3)c2)cn1
InChIInChI=1S/C23H27N3O7S/c1-2-13-32-23(29)33-20-12-11-17(15-24-20)22(28)26-34(30,31)19-10-6-7-16(14-19)21(27)25-18-8-4-3-5-9-18/h6-7,10-12,14-15,18H,2-5,8-9,13H2,1H3,(H,25,27)(H,26,28)
InChIKeyYWKQYBAUGCXTJR-UHFFFAOYSA-N
XLogP3.19
TPSA140.76 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.55
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

5-[[3-(cyclohexylcarbamoyl)phenyl]sulfonylcarbamoyl]-3-pentylpyridine-2-carboxylic acid
CID 19928411
[5-[[3-[2-[(2-cyclohexylacetyl)amino]ethyl]phenyl]sulfonylcarbamoyl]-2-pyridinyl] methyl carbonate
CID 67749394
propyl 5-[[3-(ethylcarbamoyl)phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate
CID 19928023
6-butoxy-N-cycloheptylpyridine-3-carboxamide
CID 58368248
ethyl [5-(naphthalen-2-ylsulfonylcarbamoyl)-2-pyridinyl] carbonate
CID 67749124
propyl 5-[[3-(2-phenylethylcarbamoyl)phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate
CID 19928441
3-(cyclohexylsulfamoyl)-N-cyclopentylbenzamide
CID 109063195
N-cyclohexyl-3-[(3-methoxyphenyl)sulfamoyl]benzamide
CID 109063440
N-cyclopentyl-3-[(4-ethoxyphenyl)sulfamoyl]benzamide
CID 9118857
[5-[[3-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]phenyl]sulfonylcarbamoyl]-2-pyridinyl] methyl carbonate
CID 67749573
[5-[[4-[2-(pentanoylamino)ethyl]phenyl]sulfonylcarbamoyl]-2-pyridinyl] pentyl carbonate
CID 67749377
propyl 5-[[3-[2-(4-methoxyphenyl)ethylcarbamoyl]phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate
CID 19928224

Frequently Asked Questions

What is the IUPAC name of [5-[[3-(cyclohexylcarbamoyl)phenyl]sulfonylcarbamoyl]-2-pyridinyl] propyl carbonate?
The IUPAC name of [5-[[3-(cyclohexylcarbamoyl)phenyl]sulfonylcarbamoyl]-2-pyridinyl] propyl carbonate (CID 67749274) is [5-[[3-(cyclohexylcarbamoyl)phenyl]sulfonylcarbamoyl]-2-pyridinyl] propyl carbonate.
What is the SMILES notation for [5-[[3-(cyclohexylcarbamoyl)phenyl]sulfonylcarbamoyl]-2-pyridinyl] propyl carbonate?
The canonical SMILES for [5-[[3-(cyclohexylcarbamoyl)phenyl]sulfonylcarbamoyl]-2-pyridinyl] propyl carbonate is CCCOC(=O)Oc1ccc(C(=O)NS(=O)(=O)c2cccc(C(=O)NC3CCCCC3)c2)cn1.
What is the InChIKey of [5-[[3-(cyclohexylcarbamoyl)phenyl]sulfonylcarbamoyl]-2-pyridinyl] propyl carbonate?
The InChIKey is YWKQYBAUGCXTJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O7S/c1-2-13-32-23(29)33-20-12-11-17(15-24-20)22(28)26-34(30,31)19-10-6-7-16(14-19)21(27)25-18-8-4-3-5-9-18/h6-7,10-12,14-15,18H,2-5,8-9,13H2,1H3,(H,25,27)(H,26,28).
What are the key properties of [5-[[3-(cyclohexylcarbamoyl)phenyl]sulfonylcarbamoyl]-2-pyridinyl] propyl carbonate?
[5-[[3-(cyclohexylcarbamoyl)phenyl]sulfonylcarbamoyl]-2-pyridinyl] propyl carbonate has a molecular weight of 489.55 g/mol, XLogP of 3.19, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[[3-(cyclohexylcarbamoyl)phenyl]sulfonylcarbamoyl]-2-pyridinyl] propyl carbonate is sourced from PubChem (CID 67749274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).