N-[4-[benzyl(methyl)sulfamoyl]phenyl]-3-(5-ethyl-2-hydroxyphenyl)-1H-pyrazole-5-carboxamide

C26H26N4O4S — CID 135785375

IUPACN-[4-[benzyl(methyl)sulfamoyl]phenyl]-3-(5-ethyl-2-hydroxyphenyl)-1H-pyrazole-5-carboxamide
SMILESCCc1ccc(O)c(-c2cc(C(=O)Nc3ccc(S(=O)(=O)N(C)Cc4ccccc4)cc3)[nH]n2)c1
InChIInChI=1S/C26H26N4O4S/c1-3-18-9-14-25(31)22(15-18)23-16-24(29-28-23)26(32)27-20-10-12-21(13-11-20)35(33,34)30(2)17-19-7-5-4-6-8-19/h4-16,31H,3,17H2,1-2H3,(H,27,32)(H,28,29)
InChIKeyMCDUGUSQOXCLNL-UHFFFAOYSA-N
MW490.59 g/mol
LogP4.42
Rot. Bonds8

About N-[4-[benzyl(methyl)sulfamoyl]phenyl]-3-(5-ethyl-2-hydroxyphenyl)-1H-pyrazole-5-carboxamide

N-[4-[benzyl(methyl)sulfamoyl]phenyl]-3-(5-ethyl-2-hydroxyphenyl)-1H-pyrazole-5-carboxamide (PubChem CID 135785375) has the molecular formula C26H26N4O4S and a molecular weight of 490.59 g/mol. Its IUPAC name is N-[4-[benzyl(methyl)sulfamoyl]phenyl]-3-(5-ethyl-2-hydroxyphenyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[4-[benzyl(methyl)sulfamoyl]phenyl]-3-(5-ethyl-2-hydroxyphenyl)-1H-pyrazole-5-carboxamide
PubChem CID135785375
Molecular FormulaC26H26N4O4S
Molecular Weight490.59 g/mol
Exact Mass490.17
IUPAC NameN-[4-[benzyl(methyl)sulfamoyl]phenyl]-3-(5-ethyl-2-hydroxyphenyl)-1H-pyrazole-5-carboxamide
SMILESCCc1ccc(O)c(-c2cc(C(=O)Nc3ccc(S(=O)(=O)N(C)Cc4ccccc4)cc3)[nH]n2)c1
InChIInChI=1S/C26H26N4O4S/c1-3-18-9-14-25(31)22(15-18)23-16-24(29-28-23)26(32)27-20-10-12-21(13-11-20)35(33,34)30(2)17-19-7-5-4-6-8-19/h4-16,31H,3,17H2,1-2H3,(H,27,32)(H,28,29)
InChIKeyMCDUGUSQOXCLNL-UHFFFAOYSA-N
XLogP4.42
TPSA115.39 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.59
LogP ≤ 54.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-[benzyl(methyl)sulfamoyl]-N-(4-ethylphenyl)-2-fluorobenzamide
CID 4068448
N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2,5-dichlorobenzamide
CID 26899296
3-(2-methoxyphenyl)-N-[4-[methyl(pyrimidin-2-yl)sulfamoyl]phenyl]-1H-pyrazole-5-carboxamide
CID 118947360
2-(benzenesulfonyl)-N-[4-[benzyl(methyl)sulfamoyl]phenyl]acetamide
CID 3936175
N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2-bromobenzamide
CID 1014272
N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2,5-dimethylbenzamide
CID 26899300
N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2,2-diphenylacetamide
CID 1014294
3-[benzyl(methyl)sulfamoyl]-N-phenylbenzamide
CID 109064666
N-benzyl-3-ethyl-N-methylbenzenesulfonamide
CID 90124269
4-[benzyl(methyl)sulfamoyl]-N-(3,5-dichlorophenyl)benzamide
CID 23825383
3-(2-hydroxyphenyl)-N-(4-methylphenyl)-1H-pyrazole-5-carboxamide
CID 135555084
N-benzyl-4-(5-ethyl-2-phosphanylphenyl)-N-methylbenzenesulfonamide
CID 54331699

Frequently Asked Questions

What is the IUPAC name of N-[4-[benzyl(methyl)sulfamoyl]phenyl]-3-(5-ethyl-2-hydroxyphenyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[4-[benzyl(methyl)sulfamoyl]phenyl]-3-(5-ethyl-2-hydroxyphenyl)-1H-pyrazole-5-carboxamide (CID 135785375) is N-[4-[benzyl(methyl)sulfamoyl]phenyl]-3-(5-ethyl-2-hydroxyphenyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[4-[benzyl(methyl)sulfamoyl]phenyl]-3-(5-ethyl-2-hydroxyphenyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[4-[benzyl(methyl)sulfamoyl]phenyl]-3-(5-ethyl-2-hydroxyphenyl)-1H-pyrazole-5-carboxamide is CCc1ccc(O)c(-c2cc(C(=O)Nc3ccc(S(=O)(=O)N(C)Cc4ccccc4)cc3)[nH]n2)c1.
What is the InChIKey of N-[4-[benzyl(methyl)sulfamoyl]phenyl]-3-(5-ethyl-2-hydroxyphenyl)-1H-pyrazole-5-carboxamide?
The InChIKey is MCDUGUSQOXCLNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O4S/c1-3-18-9-14-25(31)22(15-18)23-16-24(29-28-23)26(32)27-20-10-12-21(13-11-20)35(33,34)30(2)17-19-7-5-4-6-8-19/h4-16,31H,3,17H2,1-2H3,(H,27,32)(H,28,29).
What are the key properties of N-[4-[benzyl(methyl)sulfamoyl]phenyl]-3-(5-ethyl-2-hydroxyphenyl)-1H-pyrazole-5-carboxamide?
N-[4-[benzyl(methyl)sulfamoyl]phenyl]-3-(5-ethyl-2-hydroxyphenyl)-1H-pyrazole-5-carboxamide has a molecular weight of 490.59 g/mol, XLogP of 4.42, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[benzyl(methyl)sulfamoyl]phenyl]-3-(5-ethyl-2-hydroxyphenyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 135785375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).