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

C23H29N3O6S — CID 19928498

IUPACmethyl 5-[[4-(dibutylcarbamoyl)phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate
SMILESCCCCN(CCCC)C(=O)c1ccc(S(=O)(=O)NC(=O)c2ccc(C(=O)OC)nc2)cc1
InChIInChI=1S/C23H29N3O6S/c1-4-6-14-26(15-7-5-2)22(28)17-8-11-19(12-9-17)33(30,31)25-21(27)18-10-13-20(24-16-18)23(29)32-3/h8-13,16H,4-7,14-15H2,1-3H3,(H,25,27)
InChIKeyCCAVEDVPDZDKLF-UHFFFAOYSA-N
MW475.57 g/mol
LogP3.03
Rot. Bonds11

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

methyl 5-[[4-(dibutylcarbamoyl)phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate (PubChem CID 19928498) has the molecular formula C23H29N3O6S and a molecular weight of 475.57 g/mol. Its IUPAC name is methyl 5-[[4-(dibutylcarbamoyl)phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[[4-(dibutylcarbamoyl)phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate
PubChem CID19928498
Molecular FormulaC23H29N3O6S
Molecular Weight475.57 g/mol
Exact Mass475.18
IUPAC Namemethyl 5-[[4-(dibutylcarbamoyl)phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate
SMILESCCCCN(CCCC)C(=O)c1ccc(S(=O)(=O)NC(=O)c2ccc(C(=O)OC)nc2)cc1
InChIInChI=1S/C23H29N3O6S/c1-4-6-14-26(15-7-5-2)22(28)17-8-11-19(12-9-17)33(30,31)25-21(27)18-10-13-20(24-16-18)23(29)32-3/h8-13,16H,4-7,14-15H2,1-3H3,(H,25,27)
InChIKeyCCAVEDVPDZDKLF-UHFFFAOYSA-N
XLogP3.03
TPSA122.74 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.57
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 5-[[4-(ethylcarbamoyl)phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate
CID 19928397
ethyl 5-[[4-(butylcarbamoyl)phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate
CID 19928116
propyl 5-[[4-(hexylcarbamoyl)phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate
CID 19928501
propan-2-yl 5-[[4-(ethylcarbamoyl)phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate
CID 67782879
methyl 5-[[4-[2-[(2-phenoxyacetyl)amino]ethyl]phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate
CID 19928421
cyclohexyl 5-[[4-(butylcarbamoyl)phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate
CID 19928175
5-[[4-(ethylcarbamoyl)phenyl]sulfonylcarbamoyl]pyridine-2-carboxylic acid
CID 19928163
4-(dibutylcarbamoyl)benzenesulfonyl chloride
CID 43125989
methyl 5-[[4-[[(2-cyclohexylacetyl)amino]methyl]phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate
CID 19928102
5-[(4-methoxyphenyl)sulfonylcarbamoyl]pyridine-2-carboxylic acid
CID 19928409
pentan-3-yl 5-[[4-[2-(4-methoxyphenyl)ethylcarbamoyl]phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate
CID 54157446
[(2R)-butan-2-yl] 5-[[4-[2-(butanoylamino)ethyl]phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate
CID 54143030

Frequently Asked Questions

What is the IUPAC name of methyl 5-[[4-(dibutylcarbamoyl)phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate?
The IUPAC name of methyl 5-[[4-(dibutylcarbamoyl)phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate (CID 19928498) is methyl 5-[[4-(dibutylcarbamoyl)phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate.
What is the SMILES notation for methyl 5-[[4-(dibutylcarbamoyl)phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate?
The canonical SMILES for methyl 5-[[4-(dibutylcarbamoyl)phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate is CCCCN(CCCC)C(=O)c1ccc(S(=O)(=O)NC(=O)c2ccc(C(=O)OC)nc2)cc1.
What is the InChIKey of methyl 5-[[4-(dibutylcarbamoyl)phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate?
The InChIKey is CCAVEDVPDZDKLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O6S/c1-4-6-14-26(15-7-5-2)22(28)17-8-11-19(12-9-17)33(30,31)25-21(27)18-10-13-20(24-16-18)23(29)32-3/h8-13,16H,4-7,14-15H2,1-3H3,(H,25,27).
What are the key properties of methyl 5-[[4-(dibutylcarbamoyl)phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate?
methyl 5-[[4-(dibutylcarbamoyl)phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate has a molecular weight of 475.57 g/mol, XLogP of 3.03, 11 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[4-(dibutylcarbamoyl)phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate is sourced from PubChem (CID 19928498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).