2-[[5-[[4-(diethylcarbamoyl)phenyl]sulfonylcarbamoyl]-3-hydroxy-2-pyridinyl]oxycarbonylamino]acetic acid

C20H22N4O9S — CID 67686354

IUPAC2-[[5-[[4-(diethylcarbamoyl)phenyl]sulfonylcarbamoyl]-3-hydroxy-2-pyridinyl]oxycarbonylamino]acetic acid
SMILESCCN(CC)C(=O)c1ccc(S(=O)(=O)NC(=O)c2cnc(OC(=O)NCC(=O)O)c(O)c2)cc1
InChIInChI=1S/C20H22N4O9S/c1-3-24(4-2)19(29)12-5-7-14(8-6-12)34(31,32)23-17(28)13-9-15(25)18(21-10-13)33-20(30)22-11-16(26)27/h5-10,25H,3-4,11H2,1-2H3,(H,22,30)(H,23,28)(H,26,27)
InChIKeyLCJRUESAPZHBCJ-UHFFFAOYSA-N
MW494.48 g/mol
LogP0.56
Rot. Bonds9

About 2-[[5-[[4-(diethylcarbamoyl)phenyl]sulfonylcarbamoyl]-3-hydroxy-2-pyridinyl]oxycarbonylamino]acetic acid

2-[[5-[[4-(diethylcarbamoyl)phenyl]sulfonylcarbamoyl]-3-hydroxy-2-pyridinyl]oxycarbonylamino]acetic acid (PubChem CID 67686354) has the molecular formula C20H22N4O9S and a molecular weight of 494.48 g/mol. Its IUPAC name is 2-[[5-[[4-(diethylcarbamoyl)phenyl]sulfonylcarbamoyl]-3-hydroxy-2-pyridinyl]oxycarbonylamino]acetic acid.

Molecular Properties

Compound Name2-[[5-[[4-(diethylcarbamoyl)phenyl]sulfonylcarbamoyl]-3-hydroxy-2-pyridinyl]oxycarbonylamino]acetic acid
PubChem CID67686354
Molecular FormulaC20H22N4O9S
Molecular Weight494.48 g/mol
Exact Mass494.11
IUPAC Name2-[[5-[[4-(diethylcarbamoyl)phenyl]sulfonylcarbamoyl]-3-hydroxy-2-pyridinyl]oxycarbonylamino]acetic acid
SMILESCCN(CC)C(=O)c1ccc(S(=O)(=O)NC(=O)c2cnc(OC(=O)NCC(=O)O)c(O)c2)cc1
InChIInChI=1S/C20H22N4O9S/c1-3-24(4-2)19(29)12-5-7-14(8-6-12)34(31,32)23-17(28)13-9-15(25)18(21-10-13)33-20(30)22-11-16(26)27/h5-10,25H,3-4,11H2,1-2H3,(H,22,30)(H,23,28)(H,26,27)
InChIKeyLCJRUESAPZHBCJ-UHFFFAOYSA-N
XLogP0.56
TPSA192.30 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.48
LogP ≤ 50.56
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Analyze 2-[[5-[[4-(diethylcarbamoyl)phenyl]sulfonylcarbamoyl]-3-hydroxy-2-pyridinyl]oxycarbonylamino]acetic acid with MolForge

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Related Compounds

pentan-3-yl 2-[[5-[[4-(diethylcarbamoyl)phenyl]sulfonylcarbamoyl]-3-methoxy-2-pyridinyl]oxycarbonylamino]acetate
CID 70274416
[5-[[4-(diethylcarbamoyl)phenyl]sulfonylcarbamoyl]-3-[(2,5-dimethylphenyl)methoxy]-2-pyridinyl] N-(2-aminoacetyl)carbamate
CID 67791636
methyl 5-[[4-(dibutylcarbamoyl)phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate
CID 19928498
N,N-diethyl-4-(methoxysulfamoyl)benzamide
CID 47051185
2-[(3-hydroxy-2-pyridinyl)oxycarbonylamino]acetic acid
CID 22363712
[5-[[4-[2-(2-ethylbutanoylamino)ethyl]phenyl]sulfonylcarbamoyl]-2-pyridinyl] pentan-3-yl carbonate
CID 67749317
[5-[[4-(ethylcarbamoyl)phenyl]sulfonylcarbamoyl]-2-pyridinyl] N-(2-hydroxyethyl)carbamate
CID 70213172
pentan-3-yl [5-[[4-(3-phenylpropylcarbamoyl)phenyl]sulfonylcarbamoyl]-2-pyridinyl] carbonate
CID 67749243
5-[[4-(ethylcarbamoyl)phenyl]sulfonylcarbamoyl]pyridine-2-carboxylic acid
CID 19928163
[5-[[4-(2-methoxyethylcarbamoyl)phenyl]sulfonylcarbamoyl]-2-pyridinyl] N-(2-methoxyethyl)carbamate
CID 70212189
N,N-diethyl-4-(2-phenylethylsulfamoyl)benzamide
CID 47952538
4-[(6-chloro-3-pyridinyl)sulfonylamino]-N,N-diethylbenzamide
CID 2683843

Frequently Asked Questions

What is the IUPAC name of 2-[[5-[[4-(diethylcarbamoyl)phenyl]sulfonylcarbamoyl]-3-hydroxy-2-pyridinyl]oxycarbonylamino]acetic acid?
The IUPAC name of 2-[[5-[[4-(diethylcarbamoyl)phenyl]sulfonylcarbamoyl]-3-hydroxy-2-pyridinyl]oxycarbonylamino]acetic acid (CID 67686354) is 2-[[5-[[4-(diethylcarbamoyl)phenyl]sulfonylcarbamoyl]-3-hydroxy-2-pyridinyl]oxycarbonylamino]acetic acid.
What is the SMILES notation for 2-[[5-[[4-(diethylcarbamoyl)phenyl]sulfonylcarbamoyl]-3-hydroxy-2-pyridinyl]oxycarbonylamino]acetic acid?
The canonical SMILES for 2-[[5-[[4-(diethylcarbamoyl)phenyl]sulfonylcarbamoyl]-3-hydroxy-2-pyridinyl]oxycarbonylamino]acetic acid is CCN(CC)C(=O)c1ccc(S(=O)(=O)NC(=O)c2cnc(OC(=O)NCC(=O)O)c(O)c2)cc1.
What is the InChIKey of 2-[[5-[[4-(diethylcarbamoyl)phenyl]sulfonylcarbamoyl]-3-hydroxy-2-pyridinyl]oxycarbonylamino]acetic acid?
The InChIKey is LCJRUESAPZHBCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O9S/c1-3-24(4-2)19(29)12-5-7-14(8-6-12)34(31,32)23-17(28)13-9-15(25)18(21-10-13)33-20(30)22-11-16(26)27/h5-10,25H,3-4,11H2,1-2H3,(H,22,30)(H,23,28)(H,26,27).
What are the key properties of 2-[[5-[[4-(diethylcarbamoyl)phenyl]sulfonylcarbamoyl]-3-hydroxy-2-pyridinyl]oxycarbonylamino]acetic acid?
2-[[5-[[4-(diethylcarbamoyl)phenyl]sulfonylcarbamoyl]-3-hydroxy-2-pyridinyl]oxycarbonylamino]acetic acid has a molecular weight of 494.48 g/mol, XLogP of 0.56, 9 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-[[4-(diethylcarbamoyl)phenyl]sulfonylcarbamoyl]-3-hydroxy-2-pyridinyl]oxycarbonylamino]acetic acid is sourced from PubChem (CID 67686354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).