4-(3,5-dimethylpyrazol-1-yl)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)benzamide

C23H26N4O5S — CID 3538139

IUPAC4-(3,5-dimethylpyrazol-1-yl)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)benzamide
SMILESCOc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1ccc(-n2nc(C)cc2C)cc1
InChIInChI=1S/C23H26N4O5S/c1-16-14-17(2)27(25-16)19-6-4-18(5-7-19)23(28)24-21-15-20(8-9-22(21)31-3)33(29,30)26-10-12-32-13-11-26/h4-9,14-15H,10-13H2,1-3H3,(H,24,28)
InChIKeyQKXYXSPMMQZDDM-UHFFFAOYSA-N
MW470.55 g/mol
LogP2.77
Rot. Bonds6

About 4-(3,5-dimethylpyrazol-1-yl)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)benzamide

4-(3,5-dimethylpyrazol-1-yl)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)benzamide (PubChem CID 3538139) has the molecular formula C23H26N4O5S and a molecular weight of 470.55 g/mol. Its IUPAC name is 4-(3,5-dimethylpyrazol-1-yl)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)benzamide.

Molecular Properties

Compound Name4-(3,5-dimethylpyrazol-1-yl)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)benzamide
PubChem CID3538139
Molecular FormulaC23H26N4O5S
Molecular Weight470.55 g/mol
Exact Mass470.16
IUPAC Name4-(3,5-dimethylpyrazol-1-yl)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)benzamide
SMILESCOc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1ccc(-n2nc(C)cc2C)cc1
InChIInChI=1S/C23H26N4O5S/c1-16-14-17(2)27(25-16)19-6-4-18(5-7-19)23(28)24-21-15-20(8-9-22(21)31-3)33(29,30)26-10-12-32-13-11-26/h4-9,14-15H,10-13H2,1-3H3,(H,24,28)
InChIKeyQKXYXSPMMQZDDM-UHFFFAOYSA-N
XLogP2.77
TPSA102.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.55
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethylpyrazol-1-yl)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)benzamide?
The IUPAC name of 4-(3,5-dimethylpyrazol-1-yl)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)benzamide (CID 3538139) is 4-(3,5-dimethylpyrazol-1-yl)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)benzamide.
What is the SMILES notation for 4-(3,5-dimethylpyrazol-1-yl)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)benzamide?
The canonical SMILES for 4-(3,5-dimethylpyrazol-1-yl)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)benzamide is COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1ccc(-n2nc(C)cc2C)cc1.
What is the InChIKey of 4-(3,5-dimethylpyrazol-1-yl)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)benzamide?
The InChIKey is QKXYXSPMMQZDDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O5S/c1-16-14-17(2)27(25-16)19-6-4-18(5-7-19)23(28)24-21-15-20(8-9-22(21)31-3)33(29,30)26-10-12-32-13-11-26/h4-9,14-15H,10-13H2,1-3H3,(H,24,28).
What are the key properties of 4-(3,5-dimethylpyrazol-1-yl)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)benzamide?
4-(3,5-dimethylpyrazol-1-yl)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)benzamide has a molecular weight of 470.55 g/mol, XLogP of 2.77, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethylpyrazol-1-yl)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)benzamide is sourced from PubChem (CID 3538139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).