4-[(3,4-dimethylphenyl)sulfonylamino]-N-[2-(1-phenylpyrazol-4-yl)ethyl]benzamide

C26H26N4O3S — CID 134000630

IUPAC4-[(3,4-dimethylphenyl)sulfonylamino]-N-[2-(1-phenylpyrazol-4-yl)ethyl]benzamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(C(=O)NCCc3cnn(-c4ccccc4)c3)cc2)cc1C
InChIInChI=1S/C26H26N4O3S/c1-19-8-13-25(16-20(19)2)34(32,33)29-23-11-9-22(10-12-23)26(31)27-15-14-21-17-28-30(18-21)24-6-4-3-5-7-24/h3-13,16-18,29H,14-15H2,1-2H3,(H,27,31)
InChIKeyLLLFJJCCSYJLSN-UHFFFAOYSA-N
MW474.59 g/mol
LogP4.26
Rot. Bonds8

About 4-[(3,4-dimethylphenyl)sulfonylamino]-N-[2-(1-phenylpyrazol-4-yl)ethyl]benzamide

4-[(3,4-dimethylphenyl)sulfonylamino]-N-[2-(1-phenylpyrazol-4-yl)ethyl]benzamide (PubChem CID 134000630) has the molecular formula C26H26N4O3S and a molecular weight of 474.59 g/mol. Its IUPAC name is 4-[(3,4-dimethylphenyl)sulfonylamino]-N-[2-(1-phenylpyrazol-4-yl)ethyl]benzamide.

Molecular Properties

Compound Name4-[(3,4-dimethylphenyl)sulfonylamino]-N-[2-(1-phenylpyrazol-4-yl)ethyl]benzamide
PubChem CID134000630
Molecular FormulaC26H26N4O3S
Molecular Weight474.59 g/mol
Exact Mass474.17
IUPAC Name4-[(3,4-dimethylphenyl)sulfonylamino]-N-[2-(1-phenylpyrazol-4-yl)ethyl]benzamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(C(=O)NCCc3cnn(-c4ccccc4)c3)cc2)cc1C
InChIInChI=1S/C26H26N4O3S/c1-19-8-13-25(16-20(19)2)34(32,33)29-23-11-9-22(10-12-23)26(31)27-15-14-21-17-28-30(18-21)24-6-4-3-5-7-24/h3-13,16-18,29H,14-15H2,1-2H3,(H,27,31)
InChIKeyLLLFJJCCSYJLSN-UHFFFAOYSA-N
XLogP4.26
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.59
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(2-methylphenyl)sulfamoyl]-N-[2-(1-phenylpyrazol-4-yl)ethyl]benzamide
CID 16606761
2-methyl-5-(methylsulfamoyl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]benzamide
CID 55504805
N-[2-(1-phenylpyrazol-4-yl)ethyl]-4-propan-2-ylsulfonylbenzamide
CID 47045068
2-chloro-5-[(4-fluorophenyl)sulfamoyl]-N-[2-(1-phenylpyrazol-4-yl)ethyl]benzamide
CID 134000560
4-chloro-3-[(4-fluorophenyl)sulfamoyl]-N-[2-(1-phenylpyrazol-4-yl)ethyl]benzamide
CID 55505071
3-(benzylsulfamoyl)-4-methyl-N-[2-(1-phenylpyrazol-4-yl)ethyl]benzamide
CID 55505346
4-N-[2-(1-phenylpyrazol-4-yl)ethyl]benzene-1,4-dicarboxamide
CID 134000714
2-chloro-N-[2-(1-phenylpyrazol-4-yl)ethyl]-5-(propan-2-ylsulfamoyl)benzamide
CID 55505479
4-[(3,4-dimethylphenyl)sulfonylamino]-N-ethylbenzamide
CID 51163080
4-[(3-chloro-4-fluorophenyl)sulfonylamino]-N-(2-phenylethyl)benzamide
CID 43000805
4-[(4-methylphenyl)sulfamoyl]-N-(1-phenylpyrazol-4-yl)benzamide
CID 47081142
N-[2-(1-phenylpyrazol-4-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 16613811

Frequently Asked Questions

What is the IUPAC name of 4-[(3,4-dimethylphenyl)sulfonylamino]-N-[2-(1-phenylpyrazol-4-yl)ethyl]benzamide?
The IUPAC name of 4-[(3,4-dimethylphenyl)sulfonylamino]-N-[2-(1-phenylpyrazol-4-yl)ethyl]benzamide (CID 134000630) is 4-[(3,4-dimethylphenyl)sulfonylamino]-N-[2-(1-phenylpyrazol-4-yl)ethyl]benzamide.
What is the SMILES notation for 4-[(3,4-dimethylphenyl)sulfonylamino]-N-[2-(1-phenylpyrazol-4-yl)ethyl]benzamide?
The canonical SMILES for 4-[(3,4-dimethylphenyl)sulfonylamino]-N-[2-(1-phenylpyrazol-4-yl)ethyl]benzamide is Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)NCCc3cnn(-c4ccccc4)c3)cc2)cc1C.
What is the InChIKey of 4-[(3,4-dimethylphenyl)sulfonylamino]-N-[2-(1-phenylpyrazol-4-yl)ethyl]benzamide?
The InChIKey is LLLFJJCCSYJLSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O3S/c1-19-8-13-25(16-20(19)2)34(32,33)29-23-11-9-22(10-12-23)26(31)27-15-14-21-17-28-30(18-21)24-6-4-3-5-7-24/h3-13,16-18,29H,14-15H2,1-2H3,(H,27,31).
What are the key properties of 4-[(3,4-dimethylphenyl)sulfonylamino]-N-[2-(1-phenylpyrazol-4-yl)ethyl]benzamide?
4-[(3,4-dimethylphenyl)sulfonylamino]-N-[2-(1-phenylpyrazol-4-yl)ethyl]benzamide has a molecular weight of 474.59 g/mol, XLogP of 4.26, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,4-dimethylphenyl)sulfonylamino]-N-[2-(1-phenylpyrazol-4-yl)ethyl]benzamide is sourced from PubChem (CID 134000630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).