N-(2,5-dimethylpyrazol-3-yl)-4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzamide

C20H22N4O4S — CID 37045799

IUPACN-(2,5-dimethylpyrazol-3-yl)-4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzamide
SMILESCOc1ccc(C(=O)Nc2cc(C)nn2C)cc1S(=O)(=O)Nc1ccc(C)cc1
InChIInChI=1S/C20H22N4O4S/c1-13-5-8-16(9-6-13)23-29(26,27)18-12-15(7-10-17(18)28-4)20(25)21-19-11-14(2)22-24(19)3/h5-12,23H,1-4H3,(H,21,25)
InChIKeyUNHJBUSFEQMTED-UHFFFAOYSA-N
MW414.49 g/mol
LogP3.10
Rot. Bonds6

About N-(2,5-dimethylpyrazol-3-yl)-4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzamide

N-(2,5-dimethylpyrazol-3-yl)-4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzamide (PubChem CID 37045799) has the molecular formula C20H22N4O4S and a molecular weight of 414.49 g/mol. Its IUPAC name is N-(2,5-dimethylpyrazol-3-yl)-4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-(2,5-dimethylpyrazol-3-yl)-4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzamide
PubChem CID37045799
Molecular FormulaC20H22N4O4S
Molecular Weight414.49 g/mol
Exact Mass414.14
IUPAC NameN-(2,5-dimethylpyrazol-3-yl)-4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzamide
SMILESCOc1ccc(C(=O)Nc2cc(C)nn2C)cc1S(=O)(=O)Nc1ccc(C)cc1
InChIInChI=1S/C20H22N4O4S/c1-13-5-8-16(9-6-13)23-29(26,27)18-12-15(7-10-17(18)28-4)20(25)21-19-11-14(2)22-24(19)3/h5-12,23H,1-4H3,(H,21,25)
InChIKeyUNHJBUSFEQMTED-UHFFFAOYSA-N
XLogP3.10
TPSA102.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.49
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-chloro-2-methoxyphenyl)-4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 26582501
4-methoxy-3-[(4-methylphenyl)sulfamoyl]-N-(1-phenylpyrazol-3-yl)benzamide
CID 55537154
3-[(4-ethylphenyl)sulfamoyl]-4-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)benzamide
CID 37244496
4-methoxy-3-[(4-methylphenyl)sulfamoyl]-N-(1-methylpiperidin-4-yl)benzamide
CID 31098428
N-(1H-indazol-6-yl)-4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 100657277
N-(4-imidazol-1-ylbutyl)-4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 55976917
N-cyclopentyl-4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 9164185
4-methoxy-N-[2-[(4-methoxybenzoyl)amino]ethyl]-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 55960480
N-cyclohexyl-4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 46556722
5-[[(2-hydroxybenzoyl)amino]carbamoyl]-2-methoxy-N-(4-methylphenyl)benzenesulfonamide
CID 55370417
4-methoxy-3-[(4-methylphenyl)sulfamoyl]-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 9300536
N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 36664795

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylpyrazol-3-yl)-4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzamide?
The IUPAC name of N-(2,5-dimethylpyrazol-3-yl)-4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzamide (CID 37045799) is N-(2,5-dimethylpyrazol-3-yl)-4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzamide.
What is the SMILES notation for N-(2,5-dimethylpyrazol-3-yl)-4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzamide?
The canonical SMILES for N-(2,5-dimethylpyrazol-3-yl)-4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzamide is COc1ccc(C(=O)Nc2cc(C)nn2C)cc1S(=O)(=O)Nc1ccc(C)cc1.
What is the InChIKey of N-(2,5-dimethylpyrazol-3-yl)-4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzamide?
The InChIKey is UNHJBUSFEQMTED-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O4S/c1-13-5-8-16(9-6-13)23-29(26,27)18-12-15(7-10-17(18)28-4)20(25)21-19-11-14(2)22-24(19)3/h5-12,23H,1-4H3,(H,21,25).
What are the key properties of N-(2,5-dimethylpyrazol-3-yl)-4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzamide?
N-(2,5-dimethylpyrazol-3-yl)-4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzamide has a molecular weight of 414.49 g/mol, XLogP of 3.10, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylpyrazol-3-yl)-4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzamide is sourced from PubChem (CID 37045799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).