N-methyl-4-[(1-methyl-3-oxo-2-phenyl-5-propan-2-ylpyrazol-4-yl)sulfamoyl]benzamide

C21H24N4O4S — CID 24662995

IUPACN-methyl-4-[(1-methyl-3-oxo-2-phenyl-5-propan-2-ylpyrazol-4-yl)sulfamoyl]benzamide
SMILESCNC(=O)c1ccc(S(=O)(=O)Nc2c(C(C)C)n(C)n(-c3ccccc3)c2=O)cc1
InChIInChI=1S/C21H24N4O4S/c1-14(2)19-18(21(27)25(24(19)4)16-8-6-5-7-9-16)23-30(28,29)17-12-10-15(11-13-17)20(26)22-3/h5-14,23H,1-4H3,(H,22,26)
InChIKeyRVPYXHNSWFVVCX-UHFFFAOYSA-N
MW428.51 g/mol
LogP2.46
Rot. Bonds6

About N-methyl-4-[(1-methyl-3-oxo-2-phenyl-5-propan-2-ylpyrazol-4-yl)sulfamoyl]benzamide

N-methyl-4-[(1-methyl-3-oxo-2-phenyl-5-propan-2-ylpyrazol-4-yl)sulfamoyl]benzamide (PubChem CID 24662995) has the molecular formula C21H24N4O4S and a molecular weight of 428.51 g/mol. Its IUPAC name is N-methyl-4-[(1-methyl-3-oxo-2-phenyl-5-propan-2-ylpyrazol-4-yl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-methyl-4-[(1-methyl-3-oxo-2-phenyl-5-propan-2-ylpyrazol-4-yl)sulfamoyl]benzamide
PubChem CID24662995
Molecular FormulaC21H24N4O4S
Molecular Weight428.51 g/mol
Exact Mass428.15
IUPAC NameN-methyl-4-[(1-methyl-3-oxo-2-phenyl-5-propan-2-ylpyrazol-4-yl)sulfamoyl]benzamide
SMILESCNC(=O)c1ccc(S(=O)(=O)Nc2c(C(C)C)n(C)n(-c3ccccc3)c2=O)cc1
InChIInChI=1S/C21H24N4O4S/c1-14(2)19-18(21(27)25(24(19)4)16-8-6-5-7-9-16)23-30(28,29)17-12-10-15(11-13-17)20(26)22-3/h5-14,23H,1-4H3,(H,22,26)
InChIKeyRVPYXHNSWFVVCX-UHFFFAOYSA-N
XLogP2.46
TPSA102.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.51
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)sulfamoyl]-N-phenylbenzamide
CID 24643280
N-(2-chlorophenyl)-4-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)sulfamoyl]benzamide
CID 26574997
4-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)sulfamoyl]-N-(3-methyl-2-pyridinyl)benzamide
CID 24687384
4-(cyclopropylsulfamoyl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)benzamide
CID 30683562
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-(prop-2-ynylsulfamoyl)benzamide
CID 33313715
N-methyl-4-[[(1R)-1-phenylethyl]sulfamoyl]benzamide
CID 27299317
4-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)sulfamoyl]-N-ethyl-N-(2-ethylbutyl)benzamide
CID 60556319
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-(3-methylbutyl)benzenesulfonamide
CID 39769497
3-[4-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)sulfamoyl]phenyl]propanoic acid
CID 9234643
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)benzamide
CID 21924
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-(2-methylpiperidine-1-carbonyl)benzenesulfonamide
CID 42910837
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-[(2S)-2-methylpiperidine-1-carbonyl]benzenesulfonamide
CID 25358875

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[(1-methyl-3-oxo-2-phenyl-5-propan-2-ylpyrazol-4-yl)sulfamoyl]benzamide?
The IUPAC name of N-methyl-4-[(1-methyl-3-oxo-2-phenyl-5-propan-2-ylpyrazol-4-yl)sulfamoyl]benzamide (CID 24662995) is N-methyl-4-[(1-methyl-3-oxo-2-phenyl-5-propan-2-ylpyrazol-4-yl)sulfamoyl]benzamide.
What is the SMILES notation for N-methyl-4-[(1-methyl-3-oxo-2-phenyl-5-propan-2-ylpyrazol-4-yl)sulfamoyl]benzamide?
The canonical SMILES for N-methyl-4-[(1-methyl-3-oxo-2-phenyl-5-propan-2-ylpyrazol-4-yl)sulfamoyl]benzamide is CNC(=O)c1ccc(S(=O)(=O)Nc2c(C(C)C)n(C)n(-c3ccccc3)c2=O)cc1.
What is the InChIKey of N-methyl-4-[(1-methyl-3-oxo-2-phenyl-5-propan-2-ylpyrazol-4-yl)sulfamoyl]benzamide?
The InChIKey is RVPYXHNSWFVVCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O4S/c1-14(2)19-18(21(27)25(24(19)4)16-8-6-5-7-9-16)23-30(28,29)17-12-10-15(11-13-17)20(26)22-3/h5-14,23H,1-4H3,(H,22,26).
What are the key properties of N-methyl-4-[(1-methyl-3-oxo-2-phenyl-5-propan-2-ylpyrazol-4-yl)sulfamoyl]benzamide?
N-methyl-4-[(1-methyl-3-oxo-2-phenyl-5-propan-2-ylpyrazol-4-yl)sulfamoyl]benzamide has a molecular weight of 428.51 g/mol, XLogP of 2.46, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[(1-methyl-3-oxo-2-phenyl-5-propan-2-ylpyrazol-4-yl)sulfamoyl]benzamide is sourced from PubChem (CID 24662995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).