ethyl 6-[[3-[(2-methoxyphenyl)sulfamoyl]-4-methylphenyl]carbamoyl]-2-methylpyridine-3-carboxylate

C24H25N3O6S — CID 55631489

IUPACethyl 6-[[3-[(2-methoxyphenyl)sulfamoyl]-4-methylphenyl]carbamoyl]-2-methylpyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(C(=O)Nc2ccc(C)c(S(=O)(=O)Nc3ccccc3OC)c2)nc1C
InChIInChI=1S/C24H25N3O6S/c1-5-33-24(29)18-12-13-20(25-16(18)3)23(28)26-17-11-10-15(2)22(14-17)34(30,31)27-19-8-6-7-9-21(19)32-4/h6-14,27H,5H2,1-4H3,(H,26,28)
InChIKeyULNZIONXCNLADX-UHFFFAOYSA-N
MW483.55 g/mol
LogP3.94
Rot. Bonds8

About ethyl 6-[[3-[(2-methoxyphenyl)sulfamoyl]-4-methylphenyl]carbamoyl]-2-methylpyridine-3-carboxylate

ethyl 6-[[3-[(2-methoxyphenyl)sulfamoyl]-4-methylphenyl]carbamoyl]-2-methylpyridine-3-carboxylate (PubChem CID 55631489) has the molecular formula C24H25N3O6S and a molecular weight of 483.55 g/mol. Its IUPAC name is ethyl 6-[[3-[(2-methoxyphenyl)sulfamoyl]-4-methylphenyl]carbamoyl]-2-methylpyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-[[3-[(2-methoxyphenyl)sulfamoyl]-4-methylphenyl]carbamoyl]-2-methylpyridine-3-carboxylate
PubChem CID55631489
Molecular FormulaC24H25N3O6S
Molecular Weight483.55 g/mol
Exact Mass483.15
IUPAC Nameethyl 6-[[3-[(2-methoxyphenyl)sulfamoyl]-4-methylphenyl]carbamoyl]-2-methylpyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(C(=O)Nc2ccc(C)c(S(=O)(=O)Nc3ccccc3OC)c2)nc1C
InChIInChI=1S/C24H25N3O6S/c1-5-33-24(29)18-12-13-20(25-16(18)3)23(28)26-17-11-10-15(2)22(14-17)34(30,31)27-19-8-6-7-9-21(19)32-4/h6-14,27H,5H2,1-4H3,(H,26,28)
InChIKeyULNZIONXCNLADX-UHFFFAOYSA-N
XLogP3.94
TPSA123.69 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.55
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 6-[[3-(diethylsulfamoyl)-4-methylphenyl]carbamoyl]-2-methylpyridine-3-carboxylate
CID 55631526
N-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylphenyl]-2,3-dimethylbenzamide
CID 3879769
N-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylphenyl]-4-methylbenzamide
CID 71904027
N-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylphenyl]-2-oxochromene-3-carboxamide
CID 4874951
ethyl 6-[[3-(benzenesulfonamido)phenyl]carbamoyl]-2-methylpyridine-3-carboxylate
CID 55706019
N-(3,4-diethoxyphenyl)-3-[(2-methoxyphenyl)sulfamoyl]-4-methylbenzamide
CID 26878789
1-tert-butyl-5-cyclopropyl-N-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylphenyl]pyrazole-3-carboxamide
CID 55883271
2-fluoro-N-[2-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylanilino]-2-oxoethyl]benzamide
CID 24642606
1-(3-chlorophenyl)-N-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylphenyl]pyrazole-3-carboxamide
CID 167920194
(2S)-N-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylphenyl]-2-phenylbutanamide
CID 41083072
N-[3-[(2-chlorophenyl)sulfamoyl]-4-methylphenyl]-2,3-dimethoxybenzamide
CID 24645186
ethyl 2-chloro-4-[[3-[(2,3-dimethylphenyl)sulfamoyl]-4-methylbenzoyl]amino]benzoate
CID 46770634

Frequently Asked Questions

What is the IUPAC name of ethyl 6-[[3-[(2-methoxyphenyl)sulfamoyl]-4-methylphenyl]carbamoyl]-2-methylpyridine-3-carboxylate?
The IUPAC name of ethyl 6-[[3-[(2-methoxyphenyl)sulfamoyl]-4-methylphenyl]carbamoyl]-2-methylpyridine-3-carboxylate (CID 55631489) is ethyl 6-[[3-[(2-methoxyphenyl)sulfamoyl]-4-methylphenyl]carbamoyl]-2-methylpyridine-3-carboxylate.
What is the SMILES notation for ethyl 6-[[3-[(2-methoxyphenyl)sulfamoyl]-4-methylphenyl]carbamoyl]-2-methylpyridine-3-carboxylate?
The canonical SMILES for ethyl 6-[[3-[(2-methoxyphenyl)sulfamoyl]-4-methylphenyl]carbamoyl]-2-methylpyridine-3-carboxylate is CCOC(=O)c1ccc(C(=O)Nc2ccc(C)c(S(=O)(=O)Nc3ccccc3OC)c2)nc1C.
What is the InChIKey of ethyl 6-[[3-[(2-methoxyphenyl)sulfamoyl]-4-methylphenyl]carbamoyl]-2-methylpyridine-3-carboxylate?
The InChIKey is ULNZIONXCNLADX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O6S/c1-5-33-24(29)18-12-13-20(25-16(18)3)23(28)26-17-11-10-15(2)22(14-17)34(30,31)27-19-8-6-7-9-21(19)32-4/h6-14,27H,5H2,1-4H3,(H,26,28).
What are the key properties of ethyl 6-[[3-[(2-methoxyphenyl)sulfamoyl]-4-methylphenyl]carbamoyl]-2-methylpyridine-3-carboxylate?
ethyl 6-[[3-[(2-methoxyphenyl)sulfamoyl]-4-methylphenyl]carbamoyl]-2-methylpyridine-3-carboxylate has a molecular weight of 483.55 g/mol, XLogP of 3.94, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-[[3-[(2-methoxyphenyl)sulfamoyl]-4-methylphenyl]carbamoyl]-2-methylpyridine-3-carboxylate is sourced from PubChem (CID 55631489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).