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

C17H17N3O6S — CID 19928397

IUPACmethyl 5-[[4-(ethylcarbamoyl)phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate
SMILESCCNC(=O)c1ccc(S(=O)(=O)NC(=O)c2ccc(C(=O)OC)nc2)cc1
InChIInChI=1S/C17H17N3O6S/c1-3-18-15(21)11-4-7-13(8-5-11)27(24,25)20-16(22)12-6-9-14(19-10-12)17(23)26-2/h4-10H,3H2,1-2H3,(H,18,21)(H,20,22)
InChIKeyXUNQAJXHNJROSV-UHFFFAOYSA-N
MW391.41 g/mol
LogP0.74
Rot. Bonds6

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

methyl 5-[[4-(ethylcarbamoyl)phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate (PubChem CID 19928397) has the molecular formula C17H17N3O6S and a molecular weight of 391.41 g/mol. Its IUPAC name is methyl 5-[[4-(ethylcarbamoyl)phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[[4-(ethylcarbamoyl)phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate
PubChem CID19928397
Molecular FormulaC17H17N3O6S
Molecular Weight391.41 g/mol
Exact Mass391.08
IUPAC Namemethyl 5-[[4-(ethylcarbamoyl)phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate
SMILESCCNC(=O)c1ccc(S(=O)(=O)NC(=O)c2ccc(C(=O)OC)nc2)cc1
InChIInChI=1S/C17H17N3O6S/c1-3-18-15(21)11-4-7-13(8-5-11)27(24,25)20-16(22)12-6-9-14(19-10-12)17(23)26-2/h4-10H,3H2,1-2H3,(H,18,21)(H,20,22)
InChIKeyXUNQAJXHNJROSV-UHFFFAOYSA-N
XLogP0.74
TPSA131.53 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.41
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

propan-2-yl 5-[[4-(ethylcarbamoyl)phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate
CID 67782879
5-[[4-(ethylcarbamoyl)phenyl]sulfonylcarbamoyl]pyridine-2-carboxylic acid
CID 19928163
methyl 5-[[4-(dibutylcarbamoyl)phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate
CID 19928498
propan-2-yl 2-[[5-[[4-(ethylcarbamoyl)phenyl]sulfonylcarbamoyl]pyridine-2-carbonyl]amino]acetate
CID 67712587
ethyl 5-[[4-(butylcarbamoyl)phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate
CID 19928116
propyl 5-[[3-(ethylcarbamoyl)phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate
CID 19928023
propyl 5-[[4-(hexylcarbamoyl)phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate
CID 19928501
pentan-3-yl 5-[[4-[2-(4-methoxyphenyl)ethylcarbamoyl]phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate
CID 54157446
[5-[[4-(ethylcarbamoyl)phenyl]sulfonylcarbamoyl]-2-pyridinyl] N-(2-hydroxyethyl)carbamate
CID 70213172
methyl 5-[[4-[2-[(2-phenoxyacetyl)amino]ethyl]phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate
CID 19928421
methyl 5-[[4-[[(2-cyclohexylacetyl)amino]methyl]phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate
CID 19928102
cyclohexyl 5-[[4-(butylcarbamoyl)phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate
CID 19928175

Frequently Asked Questions

What is the IUPAC name of methyl 5-[[4-(ethylcarbamoyl)phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate?
The IUPAC name of methyl 5-[[4-(ethylcarbamoyl)phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate (CID 19928397) is methyl 5-[[4-(ethylcarbamoyl)phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate.
What is the SMILES notation for methyl 5-[[4-(ethylcarbamoyl)phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate?
The canonical SMILES for methyl 5-[[4-(ethylcarbamoyl)phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate is CCNC(=O)c1ccc(S(=O)(=O)NC(=O)c2ccc(C(=O)OC)nc2)cc1.
What is the InChIKey of methyl 5-[[4-(ethylcarbamoyl)phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate?
The InChIKey is XUNQAJXHNJROSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O6S/c1-3-18-15(21)11-4-7-13(8-5-11)27(24,25)20-16(22)12-6-9-14(19-10-12)17(23)26-2/h4-10H,3H2,1-2H3,(H,18,21)(H,20,22).
What are the key properties of methyl 5-[[4-(ethylcarbamoyl)phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate?
methyl 5-[[4-(ethylcarbamoyl)phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate has a molecular weight of 391.41 g/mol, XLogP of 0.74, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[4-(ethylcarbamoyl)phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate is sourced from PubChem (CID 19928397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).