N-[4-[2-(tert-butylsulfamoyl)phenyl]phenyl]-2-(3-methoxyphenyl)-5-methylpyrazole-3-carboxamide

C28H30N4O4S — CID 11477889

IUPACN-[4-[2-(tert-butylsulfamoyl)phenyl]phenyl]-2-(3-methoxyphenyl)-5-methylpyrazole-3-carboxamide
SMILESCOc1cccc(-n2nc(C)cc2C(=O)Nc2ccc(-c3ccccc3S(=O)(=O)NC(C)(C)C)cc2)c1
InChIInChI=1S/C28H30N4O4S/c1-19-17-25(32(30-19)22-9-8-10-23(18-22)36-5)27(33)29-21-15-13-20(14-16-21)24-11-6-7-12-26(24)37(34,35)31-28(2,3)4/h6-18,31H,1-5H3,(H,29,33)
InChIKeyHGKHDSOBWWGHOV-UHFFFAOYSA-N
MW518.64 g/mol
LogP5.19
Rot. Bonds7

About N-[4-[2-(tert-butylsulfamoyl)phenyl]phenyl]-2-(3-methoxyphenyl)-5-methylpyrazole-3-carboxamide

N-[4-[2-(tert-butylsulfamoyl)phenyl]phenyl]-2-(3-methoxyphenyl)-5-methylpyrazole-3-carboxamide (PubChem CID 11477889) has the molecular formula C28H30N4O4S and a molecular weight of 518.64 g/mol. Its IUPAC name is N-[4-[2-(tert-butylsulfamoyl)phenyl]phenyl]-2-(3-methoxyphenyl)-5-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[4-[2-(tert-butylsulfamoyl)phenyl]phenyl]-2-(3-methoxyphenyl)-5-methylpyrazole-3-carboxamide
PubChem CID11477889
Molecular FormulaC28H30N4O4S
Molecular Weight518.64 g/mol
Exact Mass518.20
IUPAC NameN-[4-[2-(tert-butylsulfamoyl)phenyl]phenyl]-2-(3-methoxyphenyl)-5-methylpyrazole-3-carboxamide
SMILESCOc1cccc(-n2nc(C)cc2C(=O)Nc2ccc(-c3ccccc3S(=O)(=O)NC(C)(C)C)cc2)c1
InChIInChI=1S/C28H30N4O4S/c1-19-17-25(32(30-19)22-9-8-10-23(18-22)36-5)27(33)29-21-15-13-20(14-16-21)24-11-6-7-12-26(24)37(34,35)31-28(2,3)4/h6-18,31H,1-5H3,(H,29,33)
InChIKeyHGKHDSOBWWGHOV-UHFFFAOYSA-N
XLogP5.19
TPSA102.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.64
LogP ≤ 55.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[2-(tert-butylsulfamoyl)phenyl]phenyl]-5-methyl-2-(3-methylsulfanylphenyl)pyrazole-3-carboxamide
CID 10940454
2-[3-(N'-hydroxycarbamimidoyl)phenyl]-5-methyl-N-[4-(2-sulfamoylphenyl)phenyl]pyrazole-3-carboxamide
CID 85372060
2-(6-fluoronaphthalen-2-yl)-5-methyl-N-[4-(2-sulfamoylphenyl)phenyl]pyrazole-3-carboxamide
CID 21366667
5-methyl-2-[3-(methylsulfinimidoyl)phenyl]-N-[4-(2-sulfamoylphenyl)phenyl]pyrazole-3-carboxamide
CID 10896308
2-(6-bromonaphthalen-2-yl)-5-methyl-N-[4-(2-sulfamoylphenyl)phenyl]pyrazole-3-carboxamide;5-methyl-2-naphthalen-2-yl-N-(4-phenylphenyl)pyrazole-3-carboxamide
CID 157118926
N-[3-(aminomethyl)phenyl]-5-methyl-2-[4-(2-sulfamoylphenyl)phenyl]pyrazole-3-carboxamide
CID 10276414
3-(3-amino-3-oxoprop-1-ynyl)-1-(4-methoxyphenyl)-N-[4-(2-sulfamoylphenyl)phenyl]pyrazole-5-carboxamide
CID 10311500
2-amino-N-[4-[2-(tert-butylsulfamoyl)phenyl]phenyl]-4-phenyl-1,3-thiazole-5-carboxamide
CID 54003940
N-(4-ethoxyphenyl)-5-methyl-2-phenylpyrazole-3-carboxamide
CID 110685989
N-[4-(tert-butylsulfamoyl)phenyl]-3-methoxybenzamide
CID 3387359
N-(4-methoxyphenyl)-1,3-diphenylpyrazole-5-carboxamide
CID 7900022
N-(3-methoxyphenyl)-2,5-dimethylpyrazole-3-carboxamide
CID 19481236

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(tert-butylsulfamoyl)phenyl]phenyl]-2-(3-methoxyphenyl)-5-methylpyrazole-3-carboxamide?
The IUPAC name of N-[4-[2-(tert-butylsulfamoyl)phenyl]phenyl]-2-(3-methoxyphenyl)-5-methylpyrazole-3-carboxamide (CID 11477889) is N-[4-[2-(tert-butylsulfamoyl)phenyl]phenyl]-2-(3-methoxyphenyl)-5-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-[4-[2-(tert-butylsulfamoyl)phenyl]phenyl]-2-(3-methoxyphenyl)-5-methylpyrazole-3-carboxamide?
The canonical SMILES for N-[4-[2-(tert-butylsulfamoyl)phenyl]phenyl]-2-(3-methoxyphenyl)-5-methylpyrazole-3-carboxamide is COc1cccc(-n2nc(C)cc2C(=O)Nc2ccc(-c3ccccc3S(=O)(=O)NC(C)(C)C)cc2)c1.
What is the InChIKey of N-[4-[2-(tert-butylsulfamoyl)phenyl]phenyl]-2-(3-methoxyphenyl)-5-methylpyrazole-3-carboxamide?
The InChIKey is HGKHDSOBWWGHOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N4O4S/c1-19-17-25(32(30-19)22-9-8-10-23(18-22)36-5)27(33)29-21-15-13-20(14-16-21)24-11-6-7-12-26(24)37(34,35)31-28(2,3)4/h6-18,31H,1-5H3,(H,29,33).
What are the key properties of N-[4-[2-(tert-butylsulfamoyl)phenyl]phenyl]-2-(3-methoxyphenyl)-5-methylpyrazole-3-carboxamide?
N-[4-[2-(tert-butylsulfamoyl)phenyl]phenyl]-2-(3-methoxyphenyl)-5-methylpyrazole-3-carboxamide has a molecular weight of 518.64 g/mol, XLogP of 5.19, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(tert-butylsulfamoyl)phenyl]phenyl]-2-(3-methoxyphenyl)-5-methylpyrazole-3-carboxamide is sourced from PubChem (CID 11477889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).