N-[(2-methoxyphenyl)methyl]-2-(4-methyl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetamide

C23H28N4O4S — CID 3241385

IUPACN-[(2-methoxyphenyl)methyl]-2-(4-methyl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetamide
SMILESCOc1ccccc1CNC(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1c(C)nn(C)c1C
InChIInChI=1S/C23H28N4O4S/c1-16-10-12-20(13-11-16)27(32(29,30)23-17(2)25-26(4)18(23)3)15-22(28)24-14-19-8-6-7-9-21(19)31-5/h6-13H,14-15H2,1-5H3,(H,24,28)
InChIKeyVTFHVACZOJNMJU-UHFFFAOYSA-N
MW456.57 g/mol
LogP2.87
Rot. Bonds8

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

N-[(2-methoxyphenyl)methyl]-2-(4-methyl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetamide (PubChem CID 3241385) has the molecular formula C23H28N4O4S and a molecular weight of 456.57 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-2-(4-methyl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetamide.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-2-(4-methyl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetamide
PubChem CID3241385
Molecular FormulaC23H28N4O4S
Molecular Weight456.57 g/mol
Exact Mass456.18
IUPAC NameN-[(2-methoxyphenyl)methyl]-2-(4-methyl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetamide
SMILESCOc1ccccc1CNC(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1c(C)nn(C)c1C
InChIInChI=1S/C23H28N4O4S/c1-16-10-12-20(13-11-16)27(32(29,30)23-17(2)25-26(4)18(23)3)15-22(28)24-14-19-8-6-7-9-21(19)31-5/h6-13H,14-15H2,1-5H3,(H,24,28)
InChIKeyVTFHVACZOJNMJU-UHFFFAOYSA-N
XLogP2.87
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.57
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-2-(4-methyl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetamide?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-2-(4-methyl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetamide (CID 3241385) is N-[(2-methoxyphenyl)methyl]-2-(4-methyl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetamide.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-2-(4-methyl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetamide?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-2-(4-methyl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetamide is COc1ccccc1CNC(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1c(C)nn(C)c1C.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-2-(4-methyl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetamide?
The InChIKey is VTFHVACZOJNMJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O4S/c1-16-10-12-20(13-11-16)27(32(29,30)23-17(2)25-26(4)18(23)3)15-22(28)24-14-19-8-6-7-9-21(19)31-5/h6-13H,14-15H2,1-5H3,(H,24,28).
What are the key properties of N-[(2-methoxyphenyl)methyl]-2-(4-methyl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetamide?
N-[(2-methoxyphenyl)methyl]-2-(4-methyl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetamide has a molecular weight of 456.57 g/mol, XLogP of 2.87, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-2-(4-methyl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetamide is sourced from PubChem (CID 3241385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).