N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-4-(2-methylpropylsulfamoyl)benzamide

C23H28N4O3S — CID 86901731

IUPACN-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-4-(2-methylpropylsulfamoyl)benzamide
SMILESCc1cc(C)n(Cc2cccc(NC(=O)c3ccc(S(=O)(=O)NCC(C)C)cc3)c2)n1
InChIInChI=1S/C23H28N4O3S/c1-16(2)14-24-31(29,30)22-10-8-20(9-11-22)23(28)25-21-7-5-6-19(13-21)15-27-18(4)12-17(3)26-27/h5-13,16,24H,14-15H2,1-4H3,(H,25,28)
InChIKeyDNOJQYIQFAXAOK-UHFFFAOYSA-N
MW440.57 g/mol
LogP3.73
Rot. Bonds8

About N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-4-(2-methylpropylsulfamoyl)benzamide

N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-4-(2-methylpropylsulfamoyl)benzamide (PubChem CID 86901731) has the molecular formula C23H28N4O3S and a molecular weight of 440.57 g/mol. Its IUPAC name is N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-4-(2-methylpropylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-4-(2-methylpropylsulfamoyl)benzamide
PubChem CID86901731
Molecular FormulaC23H28N4O3S
Molecular Weight440.57 g/mol
Exact Mass440.19
IUPAC NameN-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-4-(2-methylpropylsulfamoyl)benzamide
SMILESCc1cc(C)n(Cc2cccc(NC(=O)c3ccc(S(=O)(=O)NCC(C)C)cc3)c2)n1
InChIInChI=1S/C23H28N4O3S/c1-16(2)14-24-31(29,30)22-10-8-20(9-11-22)23(28)25-21-7-5-6-19(13-21)15-27-18(4)12-17(3)26-27/h5-13,16,24H,14-15H2,1-4H3,(H,25,28)
InChIKeyDNOJQYIQFAXAOK-UHFFFAOYSA-N
XLogP3.73
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.57
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-N-[1-[3-[(3,5-dimethylpyrazol-1-yl)methyl]anilino]-1-oxopropan-2-yl]benzamide
CID 86901739
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(4-ethylsulfonylphenyl)benzamide
CID 48984995
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[3-(propanoylamino)phenyl]benzamide
CID 48985971
1-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-3-[(2R)-2-hydroxy-3-methylbutyl]urea
CID 95775635
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-pyridin-4-ylbenzamide
CID 49016835
N-(4-carbamoylphenyl)-4-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide
CID 48980777
N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 19514551
N-(4-ethylphenyl)-4-(2-methylpropylsulfamoyl)benzamide
CID 109058950
3-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(4-fluorophenyl)sulfonylbenzamide
CID 110166622
N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-1,5-dimethylpyrazole-4-carboxamide
CID 19474017
N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-6-(4-methylpiperidin-1-yl)pyridine-3-carboxamide
CID 86901727
4-bromo-N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-1,5-dimethylpyrazole-3-carboxamide
CID 19266221

Frequently Asked Questions

What is the IUPAC name of N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-4-(2-methylpropylsulfamoyl)benzamide?
The IUPAC name of N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-4-(2-methylpropylsulfamoyl)benzamide (CID 86901731) is N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-4-(2-methylpropylsulfamoyl)benzamide.
What is the SMILES notation for N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-4-(2-methylpropylsulfamoyl)benzamide?
The canonical SMILES for N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-4-(2-methylpropylsulfamoyl)benzamide is Cc1cc(C)n(Cc2cccc(NC(=O)c3ccc(S(=O)(=O)NCC(C)C)cc3)c2)n1.
What is the InChIKey of N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-4-(2-methylpropylsulfamoyl)benzamide?
The InChIKey is DNOJQYIQFAXAOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O3S/c1-16(2)14-24-31(29,30)22-10-8-20(9-11-22)23(28)25-21-7-5-6-19(13-21)15-27-18(4)12-17(3)26-27/h5-13,16,24H,14-15H2,1-4H3,(H,25,28).
What are the key properties of N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-4-(2-methylpropylsulfamoyl)benzamide?
N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-4-(2-methylpropylsulfamoyl)benzamide has a molecular weight of 440.57 g/mol, XLogP of 3.73, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-4-(2-methylpropylsulfamoyl)benzamide is sourced from PubChem (CID 86901731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).