N-(3,4-dimethylphenyl)-2-(N-(3,5-dimethylpyrazolidin-4-yl)sulfonyl-4-methoxyanilino)acetamide

C22H30N4O4S — CID 78313406

IUPACN-(3,4-dimethylphenyl)-2-(N-(3,5-dimethylpyrazolidin-4-yl)sulfonyl-4-methoxyanilino)acetamide
SMILESCOc1ccc(N(CC(=O)Nc2ccc(C)c(C)c2)S(=O)(=O)C2C(C)NNC2C)cc1
InChIInChI=1S/C22H30N4O4S/c1-14-6-7-18(12-15(14)2)23-21(27)13-26(19-8-10-20(30-5)11-9-19)31(28,29)22-16(3)24-25-17(22)4/h6-12,16-17,22,24-25H,13H2,1-5H3,(H,23,27)
InChIKeyXHFFKNMCEDVKCV-UHFFFAOYSA-N
MW446.57 g/mol
LogP2.34
Rot. Bonds7

About N-(3,4-dimethylphenyl)-2-(N-(3,5-dimethylpyrazolidin-4-yl)sulfonyl-4-methoxyanilino)acetamide

N-(3,4-dimethylphenyl)-2-(N-(3,5-dimethylpyrazolidin-4-yl)sulfonyl-4-methoxyanilino)acetamide (PubChem CID 78313406) has the molecular formula C22H30N4O4S and a molecular weight of 446.57 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-2-(N-(3,5-dimethylpyrazolidin-4-yl)sulfonyl-4-methoxyanilino)acetamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-2-(N-(3,5-dimethylpyrazolidin-4-yl)sulfonyl-4-methoxyanilino)acetamide
PubChem CID78313406
Molecular FormulaC22H30N4O4S
Molecular Weight446.57 g/mol
Exact Mass446.20
IUPAC NameN-(3,4-dimethylphenyl)-2-(N-(3,5-dimethylpyrazolidin-4-yl)sulfonyl-4-methoxyanilino)acetamide
SMILESCOc1ccc(N(CC(=O)Nc2ccc(C)c(C)c2)S(=O)(=O)C2C(C)NNC2C)cc1
InChIInChI=1S/C22H30N4O4S/c1-14-6-7-18(12-15(14)2)23-21(27)13-26(19-8-10-20(30-5)11-9-19)31(28,29)22-16(3)24-25-17(22)4/h6-12,16-17,22,24-25H,13H2,1-5H3,(H,23,27)
InChIKeyXHFFKNMCEDVKCV-UHFFFAOYSA-N
XLogP2.34
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.57
LogP ≤ 52.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-(N-(3,5-dimethylpyrazolidin-4-yl)sulfonyl-4-methoxyanilino)-N-(3-ethylphenyl)acetamide
CID 78313264
N-(3,4-dimethylphenyl)-2-(N-ethylsulfonyl-4-methoxyanilino)acetamide
CID 4136271
2-(N-(3,5-dimethylpyrazolidin-4-yl)sulfonyl-4-methylanilino)-N-(3-fluoro-4-methylphenyl)acetamide
CID 73221208
2-(N-(4-acetamidophenyl)sulfonyl-4-methoxyanilino)-N-(3,4-dimethylphenyl)acetamide
CID 1204001
N-(3,4-dimethoxyphenyl)-2-(4-methoxy-N-methylsulfonylanilino)acetamide
CID 998735
N-(3,4-dimethylphenyl)-2-(3-methoxy-N-methylsulfonylanilino)acetamide
CID 1098104
N-(3,4-dimethylphenyl)-2-(2-methoxy-N-(4-methoxyphenyl)sulfonylanilino)acetamide
CID 53280522
2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-ethoxyanilino)-N-(3,4-dimethylphenyl)acetamide
CID 53280565
2-[N-(benzenesulfonyl)-2,4-dimethoxyanilino]-N-(3,4-dimethylphenyl)acetamide
CID 2890006
2-[N-(dimethylsulfamoyl)-4-fluoroanilino]-N-(4-methoxyphenyl)acetamide
CID 53283291
2-(N-(4-chlorophenyl)sulfonyl-4-ethoxyanilino)-N-(3,4-dimethylphenyl)acetamide
CID 1363400
N-(4-fluorophenyl)-2-(4-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 2279426

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-2-(N-(3,5-dimethylpyrazolidin-4-yl)sulfonyl-4-methoxyanilino)acetamide?
The IUPAC name of N-(3,4-dimethylphenyl)-2-(N-(3,5-dimethylpyrazolidin-4-yl)sulfonyl-4-methoxyanilino)acetamide (CID 78313406) is N-(3,4-dimethylphenyl)-2-(N-(3,5-dimethylpyrazolidin-4-yl)sulfonyl-4-methoxyanilino)acetamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-2-(N-(3,5-dimethylpyrazolidin-4-yl)sulfonyl-4-methoxyanilino)acetamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-2-(N-(3,5-dimethylpyrazolidin-4-yl)sulfonyl-4-methoxyanilino)acetamide is COc1ccc(N(CC(=O)Nc2ccc(C)c(C)c2)S(=O)(=O)C2C(C)NNC2C)cc1.
What is the InChIKey of N-(3,4-dimethylphenyl)-2-(N-(3,5-dimethylpyrazolidin-4-yl)sulfonyl-4-methoxyanilino)acetamide?
The InChIKey is XHFFKNMCEDVKCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O4S/c1-14-6-7-18(12-15(14)2)23-21(27)13-26(19-8-10-20(30-5)11-9-19)31(28,29)22-16(3)24-25-17(22)4/h6-12,16-17,22,24-25H,13H2,1-5H3,(H,23,27).
What are the key properties of N-(3,4-dimethylphenyl)-2-(N-(3,5-dimethylpyrazolidin-4-yl)sulfonyl-4-methoxyanilino)acetamide?
N-(3,4-dimethylphenyl)-2-(N-(3,5-dimethylpyrazolidin-4-yl)sulfonyl-4-methoxyanilino)acetamide has a molecular weight of 446.57 g/mol, XLogP of 2.34, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-2-(N-(3,5-dimethylpyrazolidin-4-yl)sulfonyl-4-methoxyanilino)acetamide is sourced from PubChem (CID 78313406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).