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

C23H22N4O4S — CID 2999344

IUPAC4-(3,5-dimethylpyrazol-1-yl)-N-[4-(furan-2-ylmethylsulfamoyl)phenyl]benzamide
SMILESCc1cc(C)n(-c2ccc(C(=O)Nc3ccc(S(=O)(=O)NCc4ccco4)cc3)cc2)n1
InChIInChI=1S/C23H22N4O4S/c1-16-14-17(2)27(26-16)20-9-5-18(6-10-20)23(28)25-19-7-11-22(12-8-19)32(29,30)24-15-21-4-3-13-31-21/h3-14,24H,15H2,1-2H3,(H,25,28)
InChIKeyUTLHGJPNNHTWKV-UHFFFAOYSA-N
MW450.52 g/mol
LogP3.81
Rot. Bonds7

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

4-(3,5-dimethylpyrazol-1-yl)-N-[4-(furan-2-ylmethylsulfamoyl)phenyl]benzamide (PubChem CID 2999344) has the molecular formula C23H22N4O4S and a molecular weight of 450.52 g/mol. Its IUPAC name is 4-(3,5-dimethylpyrazol-1-yl)-N-[4-(furan-2-ylmethylsulfamoyl)phenyl]benzamide.

Molecular Properties

Compound Name4-(3,5-dimethylpyrazol-1-yl)-N-[4-(furan-2-ylmethylsulfamoyl)phenyl]benzamide
PubChem CID2999344
Molecular FormulaC23H22N4O4S
Molecular Weight450.52 g/mol
Exact Mass450.14
IUPAC Name4-(3,5-dimethylpyrazol-1-yl)-N-[4-(furan-2-ylmethylsulfamoyl)phenyl]benzamide
SMILESCc1cc(C)n(-c2ccc(C(=O)Nc3ccc(S(=O)(=O)NCc4ccco4)cc3)cc2)n1
InChIInChI=1S/C23H22N4O4S/c1-16-14-17(2)27(26-16)20-9-5-18(6-10-20)23(28)25-19-7-11-22(12-8-19)32(29,30)24-15-21-4-3-13-31-21/h3-14,24H,15H2,1-2H3,(H,25,28)
InChIKeyUTLHGJPNNHTWKV-UHFFFAOYSA-N
XLogP3.81
TPSA106.23 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.52
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(Z)-2-Cyano-N-furan-2-ylmethyl-3-{3-[3-(morpholine-4-sulfonyl)-phenyl]-1-phenyl-1H-pyrazol-4-yl}-acrylamide
CID 2012852
(Z)-2-Cyano-3-[3-(3-dimethylsulfamoyl-phenyl)-1-phenyl-1H-pyrazol-4-yl]-N-furan-2-ylmethyl-acrylamide
CID 2013743
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-(furan-2-ylmethylsulfamoyl)benzamide
CID 2538696
4-(3,5-dimethyl-1-pyrazolyl)-N-[2-methoxy-5-(4-morpholinylsulfonyl)phenyl]benzamide
CID 3538139
(Z)-2-Cyano-N-furan-2-ylmethyl-3-{1-phenyl-3-[3-(pyrrolidine-1-sulfonyl)-phenyl]-1H-pyrazol-4-yl}-acrylamide
CID 5968053
5-(4-ethoxyphenyl)-N-(3-morpholin-4-ylpropyl)-1-(4-sulfamoylphenyl)pyrazole-3-carboxamide
CID 155524522
5-(4-ethoxyphenyl)-N-(2-morpholin-4-ylethyl)-1-(4-sulfamoylphenyl)pyrazole-3-carboxamide
CID 155547227
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-4-(furan-2-ylmethylsulfamoyl)benzamide
CID 16317722
4-[3,4-dimethyl-2-(4-methylphenyl)-7-oxo-2,7-dihydro-6H-pyrazolo[3,4-d]pyridazin-6-yl]-N-(2-furylmethyl)butanamide
CID 20919913
4-(3,5-dimethylpyrazol-1-yl)-N-(furan-2-ylmethyl)-N-[2-(2-methoxyanilino)-2-oxoethyl]benzamide
CID 2604003
(E)-2-Cyano-3-[3-(3-diethylsulfamoyl-phenyl)-1-phenyl-1H-pyrazol-4-yl]-N-furan-2-ylmethyl-acrylamide
CID 6520877
2-[3,4-dimethyl-2-(4-methylphenyl)-7-oxopyrazolo[3,4-d]pyridazin-6-yl]-N-(furan-2-ylmethyl)acetamide
CID 16022600

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethylpyrazol-1-yl)-N-[4-(furan-2-ylmethylsulfamoyl)phenyl]benzamide?
The IUPAC name of 4-(3,5-dimethylpyrazol-1-yl)-N-[4-(furan-2-ylmethylsulfamoyl)phenyl]benzamide (CID 2999344) is 4-(3,5-dimethylpyrazol-1-yl)-N-[4-(furan-2-ylmethylsulfamoyl)phenyl]benzamide.
What is the SMILES notation for 4-(3,5-dimethylpyrazol-1-yl)-N-[4-(furan-2-ylmethylsulfamoyl)phenyl]benzamide?
The canonical SMILES for 4-(3,5-dimethylpyrazol-1-yl)-N-[4-(furan-2-ylmethylsulfamoyl)phenyl]benzamide is Cc1cc(C)n(-c2ccc(C(=O)Nc3ccc(S(=O)(=O)NCc4ccco4)cc3)cc2)n1.
What is the InChIKey of 4-(3,5-dimethylpyrazol-1-yl)-N-[4-(furan-2-ylmethylsulfamoyl)phenyl]benzamide?
The InChIKey is UTLHGJPNNHTWKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O4S/c1-16-14-17(2)27(26-16)20-9-5-18(6-10-20)23(28)25-19-7-11-22(12-8-19)32(29,30)24-15-21-4-3-13-31-21/h3-14,24H,15H2,1-2H3,(H,25,28).
What are the key properties of 4-(3,5-dimethylpyrazol-1-yl)-N-[4-(furan-2-ylmethylsulfamoyl)phenyl]benzamide?
4-(3,5-dimethylpyrazol-1-yl)-N-[4-(furan-2-ylmethylsulfamoyl)phenyl]benzamide has a molecular weight of 450.52 g/mol, XLogP of 3.81, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethylpyrazol-1-yl)-N-[4-(furan-2-ylmethylsulfamoyl)phenyl]benzamide is sourced from PubChem (CID 2999344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).