N-(3,5-dimethylphenyl)-2-[N-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-methoxyanilino]acetamide

C22H26N4O4S — CID 20858805

IUPACN-(3,5-dimethylphenyl)-2-[N-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-methoxyanilino]acetamide
SMILESCOc1ccc(N(CC(=O)Nc2cc(C)cc(C)c2)S(=O)(=O)c2c(C)n[nH]c2C)cc1
InChIInChI=1S/C22H26N4O4S/c1-14-10-15(2)12-18(11-14)23-21(27)13-26(19-6-8-20(30-5)9-7-19)31(28,29)22-16(3)24-25-17(22)4/h6-12H,13H2,1-5H3,(H,23,27)(H,24,25)
InChIKeyXCTCLLSSMZSIER-UHFFFAOYSA-N
MW442.54 g/mol
LogP3.49
Rot. Bonds7

About N-(3,5-dimethylphenyl)-2-[N-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-methoxyanilino]acetamide

N-(3,5-dimethylphenyl)-2-[N-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-methoxyanilino]acetamide (PubChem CID 20858805) has the molecular formula C22H26N4O4S and a molecular weight of 442.54 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-2-[N-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-methoxyanilino]acetamide.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-2-[N-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-methoxyanilino]acetamide
PubChem CID20858805
Molecular FormulaC22H26N4O4S
Molecular Weight442.54 g/mol
Exact Mass442.17
IUPAC NameN-(3,5-dimethylphenyl)-2-[N-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-methoxyanilino]acetamide
SMILESCOc1ccc(N(CC(=O)Nc2cc(C)cc(C)c2)S(=O)(=O)c2c(C)n[nH]c2C)cc1
InChIInChI=1S/C22H26N4O4S/c1-14-10-15(2)12-18(11-14)23-21(27)13-26(19-6-8-20(30-5)9-7-19)31(28,29)22-16(3)24-25-17(22)4/h6-12H,13H2,1-5H3,(H,23,27)(H,24,25)
InChIKeyXCTCLLSSMZSIER-UHFFFAOYSA-N
XLogP3.49
TPSA104.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.54
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-chlorophenyl)-2-[N-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-methoxyanilino]acetamide
CID 20858792
N-(3,4-dimethoxyphenyl)-2-[N-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-propan-2-ylanilino]acetamide
CID 20858817
2-[N-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-methoxyanilino]-N-(thiophen-2-ylmethyl)acetamide
CID 3242480
2-[N-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-methylanilino]-N-(3-ethylphenyl)acetamide
CID 20855714
2-[N-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-methoxyanilino]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 20858807
2-[N-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-propan-2-ylanilino]-N-(3-fluoro-4-methylphenyl)acetamide
CID 20858834
N-(4-fluorophenyl)-2-(4-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 2279426
2-(4-methoxy-N-methylsulfonylanilino)-N-(2,4,6-trimethylphenyl)acetamide
CID 1318164
2-[N-(benzenesulfonyl)-3-methoxyanilino]-N-(3,5-dimethylphenyl)acetamide
CID 998295
N-(3,5-dimethylphenyl)-2-(2-methoxy-N-(4-methoxyphenyl)sulfonylanilino)acetamide
CID 23911004
N-[(2-chlorophenyl)methyl]-2-[N-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-3,5-dimethylanilino]acetamide
CID 20858842
2-(N-(4-acetamidophenyl)sulfonyl-4-methoxyanilino)-N-(3,4-dimethylphenyl)acetamide
CID 1204001

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-2-[N-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-methoxyanilino]acetamide?
The IUPAC name of N-(3,5-dimethylphenyl)-2-[N-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-methoxyanilino]acetamide (CID 20858805) is N-(3,5-dimethylphenyl)-2-[N-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-methoxyanilino]acetamide.
What is the SMILES notation for N-(3,5-dimethylphenyl)-2-[N-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-methoxyanilino]acetamide?
The canonical SMILES for N-(3,5-dimethylphenyl)-2-[N-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-methoxyanilino]acetamide is COc1ccc(N(CC(=O)Nc2cc(C)cc(C)c2)S(=O)(=O)c2c(C)n[nH]c2C)cc1.
What is the InChIKey of N-(3,5-dimethylphenyl)-2-[N-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-methoxyanilino]acetamide?
The InChIKey is XCTCLLSSMZSIER-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O4S/c1-14-10-15(2)12-18(11-14)23-21(27)13-26(19-6-8-20(30-5)9-7-19)31(28,29)22-16(3)24-25-17(22)4/h6-12H,13H2,1-5H3,(H,23,27)(H,24,25).
What are the key properties of N-(3,5-dimethylphenyl)-2-[N-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-methoxyanilino]acetamide?
N-(3,5-dimethylphenyl)-2-[N-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-methoxyanilino]acetamide has a molecular weight of 442.54 g/mol, XLogP of 3.49, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-2-[N-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-methoxyanilino]acetamide is sourced from PubChem (CID 20858805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).