propyl 5-[[3-[2-(4-methoxyphenyl)ethylcarbamoyl]phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate

C26H27N3O7S — CID 19928224

IUPACpropyl 5-[[3-[2-(4-methoxyphenyl)ethylcarbamoyl]phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate
SMILESCCCOC(=O)c1ccc(C(=O)NS(=O)(=O)c2cccc(C(=O)NCCc3ccc(OC)cc3)c2)cn1
InChIInChI=1S/C26H27N3O7S/c1-3-15-36-26(32)23-12-9-20(17-28-23)25(31)29-37(33,34)22-6-4-5-19(16-22)24(30)27-14-13-18-7-10-21(35-2)11-8-18/h4-12,16-17H,3,13-15H2,1-2H3,(H,27,30)(H,29,31)
InChIKeyFKZWMTDTOVEHAR-UHFFFAOYSA-N
MW525.58 g/mol
LogP2.75
Rot. Bonds11

About propyl 5-[[3-[2-(4-methoxyphenyl)ethylcarbamoyl]phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate

propyl 5-[[3-[2-(4-methoxyphenyl)ethylcarbamoyl]phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate (PubChem CID 19928224) has the molecular formula C26H27N3O7S and a molecular weight of 525.58 g/mol. Its IUPAC name is propyl 5-[[3-[2-(4-methoxyphenyl)ethylcarbamoyl]phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate.

Molecular Properties

Compound Namepropyl 5-[[3-[2-(4-methoxyphenyl)ethylcarbamoyl]phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate
PubChem CID19928224
Molecular FormulaC26H27N3O7S
Molecular Weight525.58 g/mol
Exact Mass525.16
IUPAC Namepropyl 5-[[3-[2-(4-methoxyphenyl)ethylcarbamoyl]phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate
SMILESCCCOC(=O)c1ccc(C(=O)NS(=O)(=O)c2cccc(C(=O)NCCc3ccc(OC)cc3)c2)cn1
InChIInChI=1S/C26H27N3O7S/c1-3-15-36-26(32)23-12-9-20(17-28-23)25(31)29-37(33,34)22-6-4-5-19(16-22)24(30)27-14-13-18-7-10-21(35-2)11-8-18/h4-12,16-17H,3,13-15H2,1-2H3,(H,27,30)(H,29,31)
InChIKeyFKZWMTDTOVEHAR-UHFFFAOYSA-N
XLogP2.75
TPSA140.76 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500525.58
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze propyl 5-[[3-[2-(4-methoxyphenyl)ethylcarbamoyl]phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate with MolForge

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Related Compounds

propyl 5-[[3-(2-phenylethylcarbamoyl)phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate
CID 19928441
propyl 5-[[3-(ethylcarbamoyl)phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate
CID 19928023
propyl 5-[[4-[2-[(2,5-dimethoxybenzoyl)amino]ethyl]phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate
CID 19928589
2-methylpropyl 5-[[4-[2-(4-methoxyphenyl)ethylcarbamoyl]phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate
CID 54366060
pentan-3-yl 5-[[4-[2-(4-methoxyphenyl)ethylcarbamoyl]phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate
CID 54157446
propyl 5-[[4-[2-[(5-chloro-2-methoxybenzoyl)amino]ethyl]phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate
CID 19928241
(4-methoxyphenyl)methyl 5-[[4-[2-[(2-phenylacetyl)amino]ethyl]phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate
CID 19928143
2-N-(2-hydroxyethyl)-5-N-[3-(2-methoxyethylcarbamoyl)phenyl]sulfonylpyridine-2,5-dicarboxamide
CID 19970382
propyl 5-[[4-(hexylcarbamoyl)phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate
CID 19928501
propan-2-yl 5-[[4-[2-[(3,4-dimethoxybenzoyl)amino]ethyl]phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate
CID 54411061
[5-[[3-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]phenyl]sulfonylcarbamoyl]-2-pyridinyl] methyl carbonate
CID 67749573
5-N-[3-(hexylcarbamoyl)phenyl]sulfonyl-2-N-(2-hydroxyethyl)pyridine-2,5-dicarboxamide
CID 19970700

Frequently Asked Questions

What is the IUPAC name of propyl 5-[[3-[2-(4-methoxyphenyl)ethylcarbamoyl]phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate?
The IUPAC name of propyl 5-[[3-[2-(4-methoxyphenyl)ethylcarbamoyl]phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate (CID 19928224) is propyl 5-[[3-[2-(4-methoxyphenyl)ethylcarbamoyl]phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate.
What is the SMILES notation for propyl 5-[[3-[2-(4-methoxyphenyl)ethylcarbamoyl]phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate?
The canonical SMILES for propyl 5-[[3-[2-(4-methoxyphenyl)ethylcarbamoyl]phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate is CCCOC(=O)c1ccc(C(=O)NS(=O)(=O)c2cccc(C(=O)NCCc3ccc(OC)cc3)c2)cn1.
What is the InChIKey of propyl 5-[[3-[2-(4-methoxyphenyl)ethylcarbamoyl]phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate?
The InChIKey is FKZWMTDTOVEHAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O7S/c1-3-15-36-26(32)23-12-9-20(17-28-23)25(31)29-37(33,34)22-6-4-5-19(16-22)24(30)27-14-13-18-7-10-21(35-2)11-8-18/h4-12,16-17H,3,13-15H2,1-2H3,(H,27,30)(H,29,31).
What are the key properties of propyl 5-[[3-[2-(4-methoxyphenyl)ethylcarbamoyl]phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate?
propyl 5-[[3-[2-(4-methoxyphenyl)ethylcarbamoyl]phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate has a molecular weight of 525.58 g/mol, XLogP of 2.75, 11 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 5-[[3-[2-(4-methoxyphenyl)ethylcarbamoyl]phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate is sourced from PubChem (CID 19928224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).