propyl 5-[[3-(ethylcarbamoyl)phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate

C19H21N3O6S — CID 19928023

IUPACpropyl 5-[[3-(ethylcarbamoyl)phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate
SMILESCCCOC(=O)c1ccc(C(=O)NS(=O)(=O)c2cccc(C(=O)NCC)c2)cn1
InChIInChI=1S/C19H21N3O6S/c1-3-10-28-19(25)16-9-8-14(12-21-16)18(24)22-29(26,27)15-7-5-6-13(11-15)17(23)20-4-2/h5-9,11-12H,3-4,10H2,1-2H3,(H,20,23)(H,22,24)
InChIKeyDSYPTUJJDSLWDM-UHFFFAOYSA-N
MW419.46 g/mol
LogP1.52
Rot. Bonds8

About propyl 5-[[3-(ethylcarbamoyl)phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate

propyl 5-[[3-(ethylcarbamoyl)phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate (PubChem CID 19928023) has the molecular formula C19H21N3O6S and a molecular weight of 419.46 g/mol. Its IUPAC name is propyl 5-[[3-(ethylcarbamoyl)phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate.

Molecular Properties

Compound Namepropyl 5-[[3-(ethylcarbamoyl)phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate
PubChem CID19928023
Molecular FormulaC19H21N3O6S
Molecular Weight419.46 g/mol
Exact Mass419.12
IUPAC Namepropyl 5-[[3-(ethylcarbamoyl)phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate
SMILESCCCOC(=O)c1ccc(C(=O)NS(=O)(=O)c2cccc(C(=O)NCC)c2)cn1
InChIInChI=1S/C19H21N3O6S/c1-3-10-28-19(25)16-9-8-14(12-21-16)18(24)22-29(26,27)15-7-5-6-13(11-15)17(23)20-4-2/h5-9,11-12H,3-4,10H2,1-2H3,(H,20,23)(H,22,24)
InChIKeyDSYPTUJJDSLWDM-UHFFFAOYSA-N
XLogP1.52
TPSA131.53 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.46
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

propyl 5-[[3-(2-phenylethylcarbamoyl)phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate
CID 19928441
propyl 5-[[3-[2-(4-methoxyphenyl)ethylcarbamoyl]phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate
CID 19928224
propyl 5-[[4-(hexylcarbamoyl)phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate
CID 19928501
methyl 5-[[4-(ethylcarbamoyl)phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate
CID 19928397
2-N-(2-hydroxyethyl)-5-N-[3-(2-methoxyethylcarbamoyl)phenyl]sulfonylpyridine-2,5-dicarboxamide
CID 19970382
propan-2-yl 5-[[4-(ethylcarbamoyl)phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate
CID 67782879
5-N-[3-(hexylcarbamoyl)phenyl]sulfonyl-2-N-(2-hydroxyethyl)pyridine-2,5-dicarboxamide
CID 19970700
5-[[3-(benzylcarbamoyl)phenyl]sulfonylcarbamoyl]pyridine-2-carboxylic acid
CID 57079415
5-[[4-(ethylcarbamoyl)phenyl]sulfonylcarbamoyl]pyridine-2-carboxylic acid
CID 19928163
ethyl 5-[[4-(butylcarbamoyl)phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate
CID 19928116
N-[3-(2-ethoxyethylcarbamoyl)phenyl]sulfonyl-6-(hydroxymethyl)pyridine-3-carboxamide
CID 139634727
[5-[[3-(cyclohexylcarbamoyl)phenyl]sulfonylcarbamoyl]-2-pyridinyl] propyl carbonate
CID 67749274

Frequently Asked Questions

What is the IUPAC name of propyl 5-[[3-(ethylcarbamoyl)phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate?
The IUPAC name of propyl 5-[[3-(ethylcarbamoyl)phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate (CID 19928023) is propyl 5-[[3-(ethylcarbamoyl)phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate.
What is the SMILES notation for propyl 5-[[3-(ethylcarbamoyl)phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate?
The canonical SMILES for propyl 5-[[3-(ethylcarbamoyl)phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate is CCCOC(=O)c1ccc(C(=O)NS(=O)(=O)c2cccc(C(=O)NCC)c2)cn1.
What is the InChIKey of propyl 5-[[3-(ethylcarbamoyl)phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate?
The InChIKey is DSYPTUJJDSLWDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O6S/c1-3-10-28-19(25)16-9-8-14(12-21-16)18(24)22-29(26,27)15-7-5-6-13(11-15)17(23)20-4-2/h5-9,11-12H,3-4,10H2,1-2H3,(H,20,23)(H,22,24).
What are the key properties of propyl 5-[[3-(ethylcarbamoyl)phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate?
propyl 5-[[3-(ethylcarbamoyl)phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate has a molecular weight of 419.46 g/mol, XLogP of 1.52, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 5-[[3-(ethylcarbamoyl)phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate is sourced from PubChem (CID 19928023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).