3-[(4-ethylphenyl)sulfamoyl]-4-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)benzamide

C22H26N4O4S — CID 37244496

IUPAC3-[(4-ethylphenyl)sulfamoyl]-4-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)benzamide
SMILESCCc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3c(C)nn(C)c3C)ccc2OC)cc1
InChIInChI=1S/C22H26N4O4S/c1-6-16-7-10-18(11-8-16)25-31(28,29)20-13-17(9-12-19(20)30-5)22(27)23-21-14(2)24-26(4)15(21)3/h7-13,25H,6H2,1-5H3,(H,23,27)
InChIKeyRUBFYXHIYFMZMU-UHFFFAOYSA-N
MW442.54 g/mol
LogP3.66
Rot. Bonds7

About 3-[(4-ethylphenyl)sulfamoyl]-4-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)benzamide

3-[(4-ethylphenyl)sulfamoyl]-4-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)benzamide (PubChem CID 37244496) has the molecular formula C22H26N4O4S and a molecular weight of 442.54 g/mol. Its IUPAC name is 3-[(4-ethylphenyl)sulfamoyl]-4-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)benzamide.

Molecular Properties

Compound Name3-[(4-ethylphenyl)sulfamoyl]-4-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)benzamide
PubChem CID37244496
Molecular FormulaC22H26N4O4S
Molecular Weight442.54 g/mol
Exact Mass442.17
IUPAC Name3-[(4-ethylphenyl)sulfamoyl]-4-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)benzamide
SMILESCCc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3c(C)nn(C)c3C)ccc2OC)cc1
InChIInChI=1S/C22H26N4O4S/c1-6-16-7-10-18(11-8-16)25-31(28,29)20-13-17(9-12-19(20)30-5)22(27)23-21-14(2)24-26(4)15(21)3/h7-13,25H,6H2,1-5H3,(H,23,27)
InChIKeyRUBFYXHIYFMZMU-UHFFFAOYSA-N
XLogP3.66
TPSA102.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.54
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(4-ethylphenyl)sulfamoyl]-4-methoxy-N-(3-methylphenyl)benzamide
CID 26537931
3-[(4-ethylphenyl)sulfamoyl]-4-methoxy-N-(4-morpholin-4-ylphenyl)benzamide
CID 24537959
3-[(4-ethylphenyl)sulfamoyl]-4-methoxy-N-(3-methoxyphenyl)benzamide
CID 17489130
N-(2,5-dimethylpyrazol-3-yl)-4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 37045799
3-[(4-ethylphenyl)sulfamoyl]-4-methoxy-N-(pyridin-4-ylmethyl)benzamide
CID 24538441
3-[(4-ethylphenyl)sulfamoyl]-4-methoxy-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide
CID 43045932
N-[1-(ethylamino)-1-oxopropan-2-yl]-3-[(4-ethylphenyl)sulfamoyl]-4-methoxybenzamide
CID 24595720
4-[(4-methoxyanilino)methyl]-N-(1,3,5-trimethylpyrazol-4-yl)benzamide
CID 90786427
N-[2-[[3-[(4-ethylphenyl)sulfamoyl]-4-methoxybenzoyl]amino]ethyl]furan-2-carboxamide
CID 24660944
ethyl 4-[[2-methoxy-5-(1-methyltetrazol-5-yl)phenyl]sulfonylamino]benzoate
CID 1204216
5-chloro-2-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide
CID 3794825
N-[2-(dimethylamino)-2-phenylethyl]-3-[(4-ethylphenyl)sulfamoyl]-4-methoxybenzamide
CID 24536279

Frequently Asked Questions

What is the IUPAC name of 3-[(4-ethylphenyl)sulfamoyl]-4-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)benzamide?
The IUPAC name of 3-[(4-ethylphenyl)sulfamoyl]-4-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)benzamide (CID 37244496) is 3-[(4-ethylphenyl)sulfamoyl]-4-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)benzamide.
What is the SMILES notation for 3-[(4-ethylphenyl)sulfamoyl]-4-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)benzamide?
The canonical SMILES for 3-[(4-ethylphenyl)sulfamoyl]-4-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)benzamide is CCc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3c(C)nn(C)c3C)ccc2OC)cc1.
What is the InChIKey of 3-[(4-ethylphenyl)sulfamoyl]-4-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)benzamide?
The InChIKey is RUBFYXHIYFMZMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O4S/c1-6-16-7-10-18(11-8-16)25-31(28,29)20-13-17(9-12-19(20)30-5)22(27)23-21-14(2)24-26(4)15(21)3/h7-13,25H,6H2,1-5H3,(H,23,27).
What are the key properties of 3-[(4-ethylphenyl)sulfamoyl]-4-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)benzamide?
3-[(4-ethylphenyl)sulfamoyl]-4-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)benzamide has a molecular weight of 442.54 g/mol, XLogP of 3.66, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-ethylphenyl)sulfamoyl]-4-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)benzamide is sourced from PubChem (CID 37244496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).