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

C22H30N4O4S — CID 78313264

IUPAC2-(N-(3,5-dimethylpyrazolidin-4-yl)sulfonyl-4-methoxyanilino)-N-(3-ethylphenyl)acetamide
SMILESCCc1cccc(NC(=O)CN(c2ccc(OC)cc2)S(=O)(=O)C2C(C)NNC2C)c1
InChIInChI=1S/C22H30N4O4S/c1-5-17-7-6-8-18(13-17)23-21(27)14-26(19-9-11-20(30-4)12-10-19)31(28,29)22-15(2)24-25-16(22)3/h6-13,15-16,22,24-25H,5,14H2,1-4H3,(H,23,27)
InChIKeyHUIKFMCLSYNOLC-UHFFFAOYSA-N
MW446.57 g/mol
LogP2.29
Rot. Bonds8

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

2-(N-(3,5-dimethylpyrazolidin-4-yl)sulfonyl-4-methoxyanilino)-N-(3-ethylphenyl)acetamide (PubChem CID 78313264) has the molecular formula C22H30N4O4S and a molecular weight of 446.57 g/mol. Its IUPAC name is 2-(N-(3,5-dimethylpyrazolidin-4-yl)sulfonyl-4-methoxyanilino)-N-(3-ethylphenyl)acetamide.

Molecular Properties

Compound Name2-(N-(3,5-dimethylpyrazolidin-4-yl)sulfonyl-4-methoxyanilino)-N-(3-ethylphenyl)acetamide
PubChem CID78313264
Molecular FormulaC22H30N4O4S
Molecular Weight446.57 g/mol
Exact Mass446.20
IUPAC Name2-(N-(3,5-dimethylpyrazolidin-4-yl)sulfonyl-4-methoxyanilino)-N-(3-ethylphenyl)acetamide
SMILESCCc1cccc(NC(=O)CN(c2ccc(OC)cc2)S(=O)(=O)C2C(C)NNC2C)c1
InChIInChI=1S/C22H30N4O4S/c1-5-17-7-6-8-18(13-17)23-21(27)14-26(19-9-11-20(30-4)12-10-19)31(28,29)22-15(2)24-25-16(22)3/h6-13,15-16,22,24-25H,5,14H2,1-4H3,(H,23,27)
InChIKeyHUIKFMCLSYNOLC-UHFFFAOYSA-N
XLogP2.29
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.57
LogP ≤ 52.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3,4-dimethylphenyl)-2-(N-(3,5-dimethylpyrazolidin-4-yl)sulfonyl-4-methoxyanilino)acetamide
CID 78313406
N-(3-bromophenyl)-2-(4-methoxy-N-methylsulfonylanilino)acetamide
CID 1082278
[2-(3-ethylanilino)-2-oxoethyl]-[(4-methoxyphenyl)methyl]-methylazanium
CID 8778311
N-(4-ethylphenyl)-2-(4-fluoro-N-(4-methoxyphenyl)sulfonylanilino)acetamide
CID 1265878
N-(3-chlorophenyl)-2-(4-fluoro-N-(4-methoxyphenyl)sulfonylanilino)acetamide
CID 126387654
N-(3,4-dimethylphenyl)-2-(N-ethylsulfonyl-4-methoxyanilino)acetamide
CID 4136271
2-[[amino-(4-methoxyanilino)methylidene]amino]-N-(3-ethylphenyl)acetamide;hydroiodide
CID 111093852
2-[N-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-methylanilino]-N-(3-ethylphenyl)acetamide
CID 20855714
N-(3,4-dimethoxyphenyl)-2-(4-methoxy-N-methylsulfonylanilino)acetamide
CID 998735
2-(4-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-(4-ethylphenyl)acetamide
CID 53280578
N-(3-chlorophenyl)-2-(4-ethyl-N-methylsulfonylanilino)acetamide
CID 113154183
methyl 3-[4-(4-methoxy-N-methylsulfonylanilino)butanoylamino]benzoate
CID 53286925

Frequently Asked Questions

What is the IUPAC name of 2-(N-(3,5-dimethylpyrazolidin-4-yl)sulfonyl-4-methoxyanilino)-N-(3-ethylphenyl)acetamide?
The IUPAC name of 2-(N-(3,5-dimethylpyrazolidin-4-yl)sulfonyl-4-methoxyanilino)-N-(3-ethylphenyl)acetamide (CID 78313264) is 2-(N-(3,5-dimethylpyrazolidin-4-yl)sulfonyl-4-methoxyanilino)-N-(3-ethylphenyl)acetamide.
What is the SMILES notation for 2-(N-(3,5-dimethylpyrazolidin-4-yl)sulfonyl-4-methoxyanilino)-N-(3-ethylphenyl)acetamide?
The canonical SMILES for 2-(N-(3,5-dimethylpyrazolidin-4-yl)sulfonyl-4-methoxyanilino)-N-(3-ethylphenyl)acetamide is CCc1cccc(NC(=O)CN(c2ccc(OC)cc2)S(=O)(=O)C2C(C)NNC2C)c1.
What is the InChIKey of 2-(N-(3,5-dimethylpyrazolidin-4-yl)sulfonyl-4-methoxyanilino)-N-(3-ethylphenyl)acetamide?
The InChIKey is HUIKFMCLSYNOLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O4S/c1-5-17-7-6-8-18(13-17)23-21(27)14-26(19-9-11-20(30-4)12-10-19)31(28,29)22-15(2)24-25-16(22)3/h6-13,15-16,22,24-25H,5,14H2,1-4H3,(H,23,27).
What are the key properties of 2-(N-(3,5-dimethylpyrazolidin-4-yl)sulfonyl-4-methoxyanilino)-N-(3-ethylphenyl)acetamide?
2-(N-(3,5-dimethylpyrazolidin-4-yl)sulfonyl-4-methoxyanilino)-N-(3-ethylphenyl)acetamide has a molecular weight of 446.57 g/mol, XLogP of 2.29, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-(3,5-dimethylpyrazolidin-4-yl)sulfonyl-4-methoxyanilino)-N-(3-ethylphenyl)acetamide is sourced from PubChem (CID 78313264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).