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

C23H28N4O6S — CID 5308821

IUPACN-(2,5-dimethoxyphenyl)-2-(4-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetamide
SMILESCOc1ccc(N(CC(=O)Nc2cc(OC)ccc2OC)S(=O)(=O)c2c(C)nn(C)c2C)cc1
InChIInChI=1S/C23H28N4O6S/c1-15-23(16(2)26(3)25-15)34(29,30)27(17-7-9-18(31-4)10-8-17)14-22(28)24-20-13-19(32-5)11-12-21(20)33-6/h7-13H,14H2,1-6H3,(H,24,28)
InChIKeyXCVGLTFLOTVROK-UHFFFAOYSA-N
MW488.57 g/mol
LogP2.90
Rot. Bonds9

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

N-(2,5-dimethoxyphenyl)-2-(4-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetamide (PubChem CID 5308821) has the molecular formula C23H28N4O6S and a molecular weight of 488.57 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-2-(4-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetamide.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-2-(4-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetamide
PubChem CID5308821
Molecular FormulaC23H28N4O6S
Molecular Weight488.57 g/mol
Exact Mass488.17
IUPAC NameN-(2,5-dimethoxyphenyl)-2-(4-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetamide
SMILESCOc1ccc(N(CC(=O)Nc2cc(OC)ccc2OC)S(=O)(=O)c2c(C)nn(C)c2C)cc1
InChIInChI=1S/C23H28N4O6S/c1-15-23(16(2)26(3)25-15)34(29,30)27(17-7-9-18(31-4)10-8-17)14-22(28)24-20-13-19(32-5)11-12-21(20)33-6/h7-13H,14H2,1-6H3,(H,24,28)
InChIKeyXCVGLTFLOTVROK-UHFFFAOYSA-N
XLogP2.90
TPSA111.99 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.57
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N~1~-(3-methoxyphenyl)-N~2~-(4-methylphenyl)-N~2~-[(1,3,5-trimethyl-1H-pyrazol-4-yl)sulfonyl]glycinamide
CID 3239480
N~1~-cycloheptyl-N~2~-(4-methoxyphenyl)-N~2~-[(1,3,5-trimethyl-1H-pyrazol-4-yl)sulfonyl]glycinamide
CID 3240173
N~1~-(3-methoxyphenyl)-N~2~-(4-methoxyphenyl)-N~2~-[(1,3,5-trimethyl-1H-pyrazol-4-yl)sulfonyl]glycinamide
CID 3241905
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetamide
CID 5307831
N-(2,5-dimethylphenyl)-2-(4-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetamide
CID 5308621
N-cyclooctyl-2-(4-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetamide
CID 5309048
N-benzyl-2-(4-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetamide
CID 9551359
N-(2,5-Diethoxyphenyl)-2-[N-(4-methylphenyl)3,5-dimethyl-1H-pyrazole-4-sulfonamido]acetamide
CID 16020057
N-(4-Methoxyphenyl)-2-[N-(4-methoxyphenyl)1,3,5-trimethyl-1H-pyrazole-4-sulfonamido]acetamide
CID 20858737
N-(4-Ethylphenyl)-2-[N-(4-methoxyphenyl)1,3,5-trimethyl-1H-pyrazole-4-sulfonamido]acetamide
CID 20858747
N-(3,4-Difluorophenyl)-2-[N-(4-methoxyphenyl)3,5-dimethyl-1H-pyrazole-4-sulfonamido]acetamide
CID 20858810
N-(4-methoxyphenyl)-1,3,5-trimethyl-N-(2-oxo-2-piperidin-1-ylethyl)pyrazole-4-sulfonamide
CID 5308486

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-2-(4-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetamide?
The IUPAC name of N-(2,5-dimethoxyphenyl)-2-(4-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetamide (CID 5308821) is N-(2,5-dimethoxyphenyl)-2-(4-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetamide.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-2-(4-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetamide?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-2-(4-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetamide is COc1ccc(N(CC(=O)Nc2cc(OC)ccc2OC)S(=O)(=O)c2c(C)nn(C)c2C)cc1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-2-(4-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetamide?
The InChIKey is XCVGLTFLOTVROK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O6S/c1-15-23(16(2)26(3)25-15)34(29,30)27(17-7-9-18(31-4)10-8-17)14-22(28)24-20-13-19(32-5)11-12-21(20)33-6/h7-13H,14H2,1-6H3,(H,24,28).
What are the key properties of N-(2,5-dimethoxyphenyl)-2-(4-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetamide?
N-(2,5-dimethoxyphenyl)-2-(4-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetamide has a molecular weight of 488.57 g/mol, XLogP of 2.90, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)-2-(4-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetamide is sourced from PubChem (CID 5308821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).