N-methyl-1-[4-[(2-methyl-5-methylsulfonylbenzoyl)amino]phenyl]pyrazole-3-carboxamide

C20H20N4O4S — CID 166183100

IUPACN-methyl-1-[4-[(2-methyl-5-methylsulfonylbenzoyl)amino]phenyl]pyrazole-3-carboxamide
SMILESCNC(=O)c1ccn(-c2ccc(NC(=O)c3cc(S(C)(=O)=O)ccc3C)cc2)n1
InChIInChI=1S/C20H20N4O4S/c1-13-4-9-16(29(3,27)28)12-17(13)19(25)22-14-5-7-15(8-6-14)24-11-10-18(23-24)20(26)21-2/h4-12H,1-3H3,(H,21,26)(H,22,25)
InChIKeyQFHPUAOERBYMTC-UHFFFAOYSA-N
MW412.47 g/mol
LogP2.20
Rot. Bonds5

About N-methyl-1-[4-[(2-methyl-5-methylsulfonylbenzoyl)amino]phenyl]pyrazole-3-carboxamide

N-methyl-1-[4-[(2-methyl-5-methylsulfonylbenzoyl)amino]phenyl]pyrazole-3-carboxamide (PubChem CID 166183100) has the molecular formula C20H20N4O4S and a molecular weight of 412.47 g/mol. Its IUPAC name is N-methyl-1-[4-[(2-methyl-5-methylsulfonylbenzoyl)amino]phenyl]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-methyl-1-[4-[(2-methyl-5-methylsulfonylbenzoyl)amino]phenyl]pyrazole-3-carboxamide
PubChem CID166183100
Molecular FormulaC20H20N4O4S
Molecular Weight412.47 g/mol
Exact Mass412.12
IUPAC NameN-methyl-1-[4-[(2-methyl-5-methylsulfonylbenzoyl)amino]phenyl]pyrazole-3-carboxamide
SMILESCNC(=O)c1ccn(-c2ccc(NC(=O)c3cc(S(C)(=O)=O)ccc3C)cc2)n1
InChIInChI=1S/C20H20N4O4S/c1-13-4-9-16(29(3,27)28)12-17(13)19(25)22-14-5-7-15(8-6-14)24-11-10-18(23-24)20(26)21-2/h4-12H,1-3H3,(H,21,26)(H,22,25)
InChIKeyQFHPUAOERBYMTC-UHFFFAOYSA-N
XLogP2.20
TPSA110.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.47
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-methyl-5-methylsulfonyl-N-[4-(1,2,4-triazol-4-yl)phenyl]benzamide
CID 166181364
2-methyl-5-(methylsulfamoyl)-N-[4-(1,2,4-triazol-1-yl)phenyl]benzamide
CID 55909075
2-methyl-N-[4-(4-methylpiperidin-1-yl)phenyl]-5-methylsulfonylbenzamide
CID 9303240
N-[4-(4-aminopiperidin-1-yl)phenyl]-2-methyl-5-methylsulfonylbenzamide
CID 166314943
N-(3-chloro-4-methylphenyl)-2-methyl-5-methylsulfonylbenzamide
CID 26087165
N-[4-(cyclopropanecarbonylamino)phenyl]-2-methyl-5-methylsulfonylbenzamide
CID 25275763
N-(3,4-difluorophenyl)-2-methyl-5-methylsulfonylbenzamide
CID 9165720
2-methyl-N-(3-methylphenyl)-5-methylsulfonylbenzamide
CID 9341567
N-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]-2-methyl-5-methylsulfonylbenzamide
CID 24636561
2-methyl-5-methylsulfonyl-N-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]benzamide
CID 166182879
N-(3-fluorophenyl)-2-methyl-5-methylsulfonylbenzamide
CID 9412429
5-(diethylsulfamoyl)-2-methyl-N-(4-methylphenyl)benzamide
CID 8760171

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[4-[(2-methyl-5-methylsulfonylbenzoyl)amino]phenyl]pyrazole-3-carboxamide?
The IUPAC name of N-methyl-1-[4-[(2-methyl-5-methylsulfonylbenzoyl)amino]phenyl]pyrazole-3-carboxamide (CID 166183100) is N-methyl-1-[4-[(2-methyl-5-methylsulfonylbenzoyl)amino]phenyl]pyrazole-3-carboxamide.
What is the SMILES notation for N-methyl-1-[4-[(2-methyl-5-methylsulfonylbenzoyl)amino]phenyl]pyrazole-3-carboxamide?
The canonical SMILES for N-methyl-1-[4-[(2-methyl-5-methylsulfonylbenzoyl)amino]phenyl]pyrazole-3-carboxamide is CNC(=O)c1ccn(-c2ccc(NC(=O)c3cc(S(C)(=O)=O)ccc3C)cc2)n1.
What is the InChIKey of N-methyl-1-[4-[(2-methyl-5-methylsulfonylbenzoyl)amino]phenyl]pyrazole-3-carboxamide?
The InChIKey is QFHPUAOERBYMTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O4S/c1-13-4-9-16(29(3,27)28)12-17(13)19(25)22-14-5-7-15(8-6-14)24-11-10-18(23-24)20(26)21-2/h4-12H,1-3H3,(H,21,26)(H,22,25).
What are the key properties of N-methyl-1-[4-[(2-methyl-5-methylsulfonylbenzoyl)amino]phenyl]pyrazole-3-carboxamide?
N-methyl-1-[4-[(2-methyl-5-methylsulfonylbenzoyl)amino]phenyl]pyrazole-3-carboxamide has a molecular weight of 412.47 g/mol, XLogP of 2.20, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[4-[(2-methyl-5-methylsulfonylbenzoyl)amino]phenyl]pyrazole-3-carboxamide is sourced from PubChem (CID 166183100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).