1-benzyl-N-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]-3,5-dimethylpyrazole-4-carboxamide

C26H26N4O4S — CID 4878197

IUPAC1-benzyl-N-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]-3,5-dimethylpyrazole-4-carboxamide
SMILESCOc1ccccc1NS(=O)(=O)c1cccc(NC(=O)c2c(C)nn(Cc3ccccc3)c2C)c1
InChIInChI=1S/C26H26N4O4S/c1-18-25(19(2)30(28-18)17-20-10-5-4-6-11-20)26(31)27-21-12-9-13-22(16-21)35(32,33)29-23-14-7-8-15-24(23)34-3/h4-16,29H,17H2,1-3H3,(H,27,31)
InChIKeyQTKAXAOJDWFMFQ-UHFFFAOYSA-N
MW490.59 g/mol
LogP4.61
Rot. Bonds8

About 1-benzyl-N-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]-3,5-dimethylpyrazole-4-carboxamide

1-benzyl-N-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]-3,5-dimethylpyrazole-4-carboxamide (PubChem CID 4878197) has the molecular formula C26H26N4O4S and a molecular weight of 490.59 g/mol. Its IUPAC name is 1-benzyl-N-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]-3,5-dimethylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]-3,5-dimethylpyrazole-4-carboxamide
PubChem CID4878197
Molecular FormulaC26H26N4O4S
Molecular Weight490.59 g/mol
Exact Mass490.17
IUPAC Name1-benzyl-N-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]-3,5-dimethylpyrazole-4-carboxamide
SMILESCOc1ccccc1NS(=O)(=O)c1cccc(NC(=O)c2c(C)nn(Cc3ccccc3)c2C)c1
InChIInChI=1S/C26H26N4O4S/c1-18-25(19(2)30(28-18)17-20-10-5-4-6-11-20)26(31)27-21-12-9-13-22(16-21)35(32,33)29-23-14-7-8-15-24(23)34-3/h4-16,29H,17H2,1-3H3,(H,27,31)
InChIKeyQTKAXAOJDWFMFQ-UHFFFAOYSA-N
XLogP4.61
TPSA102.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.59
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-benzyl-N-[3-(dimethylsulfamoyl)phenyl]-3,5-dimethylpyrazole-4-carboxamide
CID 9207961
1-benzyl-N-[3-(carbamoylamino)phenyl]-3,5-dimethylpyrazole-4-carboxamide
CID 55539291
N-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 18775433
1-benzyl-N-(4-methoxyphenyl)-3,5-dimethylpyrazole-4-carboxamide
CID 9042189
1-benzyl-5-chloro-N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-3-methylpyrazole-4-carboxamide
CID 26249061
1-benzyl-N-(3-cyanophenyl)-3,5-dimethylpyrazole-4-carboxamide
CID 9269723
2-methoxy-N-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]pyridine-3-carboxamide
CID 39977662
[2-oxo-2-(3-sulfamoylanilino)ethyl] 1-benzyl-3,5-dimethylpyrazole-4-carboxylate
CID 3306887
N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-3,4-dimethoxybenzenesulfonamide
CID 22202423
N-[[5-chloro-1-[(4-fluorophenyl)methyl]-3-methylpyrazol-4-yl]methylideneamino]-3-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 2543732
1-benzyl-3,5-dimethyl-N-[3-(5-oxopyrrolidin-2-yl)phenyl]pyrazole-4-carboxamide
CID 166237160
1-benzyl-3,5-dimethyl-N-[(2,4,5-trimethoxyphenyl)methyl]pyrazole-4-carboxamide
CID 26446623

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]-3,5-dimethylpyrazole-4-carboxamide?
The IUPAC name of 1-benzyl-N-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]-3,5-dimethylpyrazole-4-carboxamide (CID 4878197) is 1-benzyl-N-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]-3,5-dimethylpyrazole-4-carboxamide.
What is the SMILES notation for 1-benzyl-N-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]-3,5-dimethylpyrazole-4-carboxamide?
The canonical SMILES for 1-benzyl-N-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]-3,5-dimethylpyrazole-4-carboxamide is COc1ccccc1NS(=O)(=O)c1cccc(NC(=O)c2c(C)nn(Cc3ccccc3)c2C)c1.
What is the InChIKey of 1-benzyl-N-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]-3,5-dimethylpyrazole-4-carboxamide?
The InChIKey is QTKAXAOJDWFMFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O4S/c1-18-25(19(2)30(28-18)17-20-10-5-4-6-11-20)26(31)27-21-12-9-13-22(16-21)35(32,33)29-23-14-7-8-15-24(23)34-3/h4-16,29H,17H2,1-3H3,(H,27,31).
What are the key properties of 1-benzyl-N-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]-3,5-dimethylpyrazole-4-carboxamide?
1-benzyl-N-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]-3,5-dimethylpyrazole-4-carboxamide has a molecular weight of 490.59 g/mol, XLogP of 4.61, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]-3,5-dimethylpyrazole-4-carboxamide is sourced from PubChem (CID 4878197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).