ethyl 5-[[4-(butylcarbamoyl)phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate

C20H23N3O6S — CID 19928116

IUPACethyl 5-[[4-(butylcarbamoyl)phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate
SMILESCCCCNC(=O)c1ccc(S(=O)(=O)NC(=O)c2ccc(C(=O)OCC)nc2)cc1
InChIInChI=1S/C20H23N3O6S/c1-3-5-12-21-18(24)14-6-9-16(10-7-14)30(27,28)23-19(25)15-8-11-17(22-13-15)20(26)29-4-2/h6-11,13H,3-5,12H2,1-2H3,(H,21,24)(H,23,25)
InChIKeyGSUNGIMPBLTSCR-UHFFFAOYSA-N
MW433.49 g/mol
LogP1.91
Rot. Bonds9

About ethyl 5-[[4-(butylcarbamoyl)phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate

ethyl 5-[[4-(butylcarbamoyl)phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate (PubChem CID 19928116) has the molecular formula C20H23N3O6S and a molecular weight of 433.49 g/mol. Its IUPAC name is ethyl 5-[[4-(butylcarbamoyl)phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-[[4-(butylcarbamoyl)phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate
PubChem CID19928116
Molecular FormulaC20H23N3O6S
Molecular Weight433.49 g/mol
Exact Mass433.13
IUPAC Nameethyl 5-[[4-(butylcarbamoyl)phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate
SMILESCCCCNC(=O)c1ccc(S(=O)(=O)NC(=O)c2ccc(C(=O)OCC)nc2)cc1
InChIInChI=1S/C20H23N3O6S/c1-3-5-12-21-18(24)14-6-9-16(10-7-14)30(27,28)23-19(25)15-8-11-17(22-13-15)20(26)29-4-2/h6-11,13H,3-5,12H2,1-2H3,(H,21,24)(H,23,25)
InChIKeyGSUNGIMPBLTSCR-UHFFFAOYSA-N
XLogP1.91
TPSA131.53 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.49
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

propyl 5-[[4-(hexylcarbamoyl)phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate
CID 19928501
cyclohexyl 5-[[4-(butylcarbamoyl)phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate
CID 19928175
methyl 5-[[4-(ethylcarbamoyl)phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate
CID 19928397
propan-2-yl 5-[[4-(ethylcarbamoyl)phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate
CID 67782879
methyl 5-[[4-(dibutylcarbamoyl)phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate
CID 19928498
5-[[4-(ethylcarbamoyl)phenyl]sulfonylcarbamoyl]pyridine-2-carboxylic acid
CID 19928163
ethyl 2-[[5-[[4-(2-phenylethylcarbamoyl)phenyl]sulfonylcarbamoyl]pyridine-2-carbonyl]amino]acetate
CID 19970664
2-methylpropyl 5-[[4-[2-(4-methoxyphenyl)ethylcarbamoyl]phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate
CID 54366060
5-[[4-(3-phenylpropylcarbamoyl)phenyl]sulfonylcarbamoyl]pyridine-2-carboxylic acid
CID 19928149
6-(hydroxymethyl)-N-[4-(propylcarbamoyl)phenyl]sulfonylpyridine-3-carboxamide
CID 67866022
pentan-3-yl 5-[[4-[2-(4-methoxyphenyl)ethylcarbamoyl]phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate
CID 54157446
propyl 5-[[3-(ethylcarbamoyl)phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate
CID 19928023

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[[4-(butylcarbamoyl)phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate?
The IUPAC name of ethyl 5-[[4-(butylcarbamoyl)phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate (CID 19928116) is ethyl 5-[[4-(butylcarbamoyl)phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate.
What is the SMILES notation for ethyl 5-[[4-(butylcarbamoyl)phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate?
The canonical SMILES for ethyl 5-[[4-(butylcarbamoyl)phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate is CCCCNC(=O)c1ccc(S(=O)(=O)NC(=O)c2ccc(C(=O)OCC)nc2)cc1.
What is the InChIKey of ethyl 5-[[4-(butylcarbamoyl)phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate?
The InChIKey is GSUNGIMPBLTSCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O6S/c1-3-5-12-21-18(24)14-6-9-16(10-7-14)30(27,28)23-19(25)15-8-11-17(22-13-15)20(26)29-4-2/h6-11,13H,3-5,12H2,1-2H3,(H,21,24)(H,23,25).
What are the key properties of ethyl 5-[[4-(butylcarbamoyl)phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate?
ethyl 5-[[4-(butylcarbamoyl)phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate has a molecular weight of 433.49 g/mol, XLogP of 1.91, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[[4-(butylcarbamoyl)phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate is sourced from PubChem (CID 19928116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).