N-(3,4-dimethoxyphenyl)-2-(4-methyl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetamide

C23H28N4O5S — CID 3244881

IUPACN-(3,4-dimethoxyphenyl)-2-(4-methyl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetamide
SMILESCOc1ccc(NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2c(C)nn(C)c2C)cc1OC
InChIInChI=1S/C23H28N4O5S/c1-15-7-10-19(11-8-15)27(33(29,30)23-16(2)25-26(4)17(23)3)14-22(28)24-18-9-12-20(31-5)21(13-18)32-6/h7-13H,14H2,1-6H3,(H,24,28)
InChIKeyHVQOQULHOCGYOK-UHFFFAOYSA-N
MW472.57 g/mol
LogP3.20
Rot. Bonds8

About N-(3,4-dimethoxyphenyl)-2-(4-methyl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetamide

N-(3,4-dimethoxyphenyl)-2-(4-methyl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetamide (PubChem CID 3244881) has the molecular formula C23H28N4O5S and a molecular weight of 472.57 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-2-(4-methyl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-2-(4-methyl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetamide
PubChem CID3244881
Molecular FormulaC23H28N4O5S
Molecular Weight472.57 g/mol
Exact Mass472.18
IUPAC NameN-(3,4-dimethoxyphenyl)-2-(4-methyl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetamide
SMILESCOc1ccc(NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2c(C)nn(C)c2C)cc1OC
InChIInChI=1S/C23H28N4O5S/c1-15-7-10-19(11-8-15)27(33(29,30)23-16(2)25-26(4)17(23)3)14-22(28)24-18-9-12-20(31-5)21(13-18)32-6/h7-13H,14H2,1-6H3,(H,24,28)
InChIKeyHVQOQULHOCGYOK-UHFFFAOYSA-N
XLogP3.20
TPSA102.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.57
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-2-(4-methyl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-2-(4-methyl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetamide (CID 3244881) is N-(3,4-dimethoxyphenyl)-2-(4-methyl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-2-(4-methyl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-2-(4-methyl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetamide is COc1ccc(NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2c(C)nn(C)c2C)cc1OC.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-2-(4-methyl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetamide?
The InChIKey is HVQOQULHOCGYOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O5S/c1-15-7-10-19(11-8-15)27(33(29,30)23-16(2)25-26(4)17(23)3)14-22(28)24-18-9-12-20(31-5)21(13-18)32-6/h7-13H,14H2,1-6H3,(H,24,28).
What are the key properties of N-(3,4-dimethoxyphenyl)-2-(4-methyl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetamide?
N-(3,4-dimethoxyphenyl)-2-(4-methyl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetamide has a molecular weight of 472.57 g/mol, XLogP of 3.20, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-2-(4-methyl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetamide is sourced from PubChem (CID 3244881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).