N-[2-methoxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]-1,3-diphenylpyrazole-5-carboxamide

C30H26N4O5S — CID 4966055

IUPACN-[2-methoxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]-1,3-diphenylpyrazole-5-carboxamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccccc2OC)cc1NC(=O)c1cc(-c2ccccc2)nn1-c1ccccc1
InChIInChI=1S/C30H26N4O5S/c1-38-28-16-10-9-15-24(28)33-40(36,37)23-17-18-29(39-2)26(19-23)31-30(35)27-20-25(21-11-5-3-6-12-21)32-34(27)22-13-7-4-8-14-22/h3-20,33H,1-2H3,(H,31,35)
InChIKeyAHUOPXTUSNMGPT-UHFFFAOYSA-N
MW554.63 g/mol
LogP5.61
Rot. Bonds9

About N-[2-methoxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]-1,3-diphenylpyrazole-5-carboxamide

N-[2-methoxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]-1,3-diphenylpyrazole-5-carboxamide (PubChem CID 4966055) has the molecular formula C30H26N4O5S and a molecular weight of 554.63 g/mol. Its IUPAC name is N-[2-methoxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]-1,3-diphenylpyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-methoxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]-1,3-diphenylpyrazole-5-carboxamide
PubChem CID4966055
Molecular FormulaC30H26N4O5S
Molecular Weight554.63 g/mol
Exact Mass554.16
IUPAC NameN-[2-methoxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]-1,3-diphenylpyrazole-5-carboxamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccccc2OC)cc1NC(=O)c1cc(-c2ccccc2)nn1-c1ccccc1
InChIInChI=1S/C30H26N4O5S/c1-38-28-16-10-9-15-24(28)33-40(36,37)23-17-18-29(39-2)26(19-23)31-30(35)27-20-25(21-11-5-3-6-12-21)32-34(27)22-13-7-4-8-14-22/h3-20,33H,1-2H3,(H,31,35)
InChIKeyAHUOPXTUSNMGPT-UHFFFAOYSA-N
XLogP5.61
TPSA111.55 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500554.63
LogP ≤ 55.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-3-(furan-2-yl)-1-phenylpyrazole-5-carboxamide
CID 46535384
N-(3-chloro-4-methoxyphenyl)-1,3-diphenylpyrazole-5-carboxamide
CID 7934858
N-(4-methoxyphenyl)-1,3-diphenylpyrazole-5-carboxamide
CID 7900022
N-[2-methoxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]naphthalene-2-carboxamide
CID 24635874
N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-1,3-diphenylpyrazole-5-carboxamide
CID 16549700
N-[2-methoxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]-5-methylpyrazine-2-carboxamide
CID 18292276
N-[2-methoxy-5-[(2-phenoxyphenyl)sulfamoyl]phenyl]acetamide
CID 71903158
N-(2-fluorophenyl)-1-(4-methoxyphenyl)-3-phenylpyrazole-5-carboxamide
CID 42754604
N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-4-oxo-3-phenylphthalazine-1-carboxamide
CID 30671113
N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 55871753
4-ethoxy-3-methoxy-N-[2-methoxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]benzamide
CID 24635979
N-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]-4-(5-methylpyrazol-1-yl)benzamide
CID 46683088

Frequently Asked Questions

What is the IUPAC name of N-[2-methoxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]-1,3-diphenylpyrazole-5-carboxamide?
The IUPAC name of N-[2-methoxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]-1,3-diphenylpyrazole-5-carboxamide (CID 4966055) is N-[2-methoxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]-1,3-diphenylpyrazole-5-carboxamide.
What is the SMILES notation for N-[2-methoxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]-1,3-diphenylpyrazole-5-carboxamide?
The canonical SMILES for N-[2-methoxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]-1,3-diphenylpyrazole-5-carboxamide is COc1ccc(S(=O)(=O)Nc2ccccc2OC)cc1NC(=O)c1cc(-c2ccccc2)nn1-c1ccccc1.
What is the InChIKey of N-[2-methoxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]-1,3-diphenylpyrazole-5-carboxamide?
The InChIKey is AHUOPXTUSNMGPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26N4O5S/c1-38-28-16-10-9-15-24(28)33-40(36,37)23-17-18-29(39-2)26(19-23)31-30(35)27-20-25(21-11-5-3-6-12-21)32-34(27)22-13-7-4-8-14-22/h3-20,33H,1-2H3,(H,31,35).
What are the key properties of N-[2-methoxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]-1,3-diphenylpyrazole-5-carboxamide?
N-[2-methoxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]-1,3-diphenylpyrazole-5-carboxamide has a molecular weight of 554.63 g/mol, XLogP of 5.61, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methoxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]-1,3-diphenylpyrazole-5-carboxamide is sourced from PubChem (CID 4966055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).