2-[N-(benzenesulfonyl)-2,4-dimethylanilino]-N-[(3-propan-2-yloxyphenyl)methyl]acetamide

C26H30N2O4S — CID 30175478

IUPAC2-[N-(benzenesulfonyl)-2,4-dimethylanilino]-N-[(3-propan-2-yloxyphenyl)methyl]acetamide
SMILESCc1ccc(N(CC(=O)NCc2cccc(OC(C)C)c2)S(=O)(=O)c2ccccc2)c(C)c1
InChIInChI=1S/C26H30N2O4S/c1-19(2)32-23-10-8-9-22(16-23)17-27-26(29)18-28(25-14-13-20(3)15-21(25)4)33(30,31)24-11-6-5-7-12-24/h5-16,19H,17-18H2,1-4H3,(H,27,29)
InChIKeyJUHWTVMMFRCNQO-UHFFFAOYSA-N
MW466.60 g/mol
LogP4.60
Rot. Bonds9

About 2-[N-(benzenesulfonyl)-2,4-dimethylanilino]-N-[(3-propan-2-yloxyphenyl)methyl]acetamide

2-[N-(benzenesulfonyl)-2,4-dimethylanilino]-N-[(3-propan-2-yloxyphenyl)methyl]acetamide (PubChem CID 30175478) has the molecular formula C26H30N2O4S and a molecular weight of 466.60 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-2,4-dimethylanilino]-N-[(3-propan-2-yloxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)-2,4-dimethylanilino]-N-[(3-propan-2-yloxyphenyl)methyl]acetamide
PubChem CID30175478
Molecular FormulaC26H30N2O4S
Molecular Weight466.60 g/mol
Exact Mass466.19
IUPAC Name2-[N-(benzenesulfonyl)-2,4-dimethylanilino]-N-[(3-propan-2-yloxyphenyl)methyl]acetamide
SMILESCc1ccc(N(CC(=O)NCc2cccc(OC(C)C)c2)S(=O)(=O)c2ccccc2)c(C)c1
InChIInChI=1S/C26H30N2O4S/c1-19(2)32-23-10-8-9-22(16-23)17-27-26(29)18-28(25-14-13-20(3)15-21(25)4)33(30,31)24-11-6-5-7-12-24/h5-16,19H,17-18H2,1-4H3,(H,27,29)
InChIKeyJUHWTVMMFRCNQO-UHFFFAOYSA-N
XLogP4.60
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.60
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[N-(benzenesulfonyl)-2,4-dimethylanilino]-N-[(4-methylphenyl)methyl]acetamide
CID 1335965
2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-[(3-propan-2-yloxyphenyl)methyl]acetamide
CID 30202878
2-(2-ethoxy-N-(4-methylphenyl)sulfonylanilino)-N-[(3-propan-2-yloxyphenyl)methyl]acetamide
CID 30214829
2-(3,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-[(3-propan-2-yloxyphenyl)methyl]acetamide
CID 30212679
2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]-N-[(3-propan-2-yloxyphenyl)methyl]acetamide
CID 53282002
2-(N-(4-methoxyphenyl)sulfonyl-4-methylanilino)-N-[(3-propan-2-yloxyphenyl)methyl]acetamide
CID 30228554
2-(4-bromo-N-(4-methylphenyl)sulfonylanilino)-N-[(3-propan-2-yloxyphenyl)methyl]acetamide
CID 43894148
2-(4-chloro-2-methyl-N-methylsulfonylanilino)-N-[(3-propan-2-yloxyphenyl)methyl]acetamide
CID 30222547
2-(3-bromo-N-(4-methylphenyl)sulfonylanilino)-N-[(3-propan-2-yloxyphenyl)methyl]acetamide
CID 43894075
2-(2,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide
CID 30306036
(2R)-2-[3-[[[2-(3-bromo-2-methyl-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]methyl]phenoxy]propanoic acid
CID 58009509
2-[N-(benzenesulfonyl)-2,4-dimethylanilino]-N-[(1R)-1-phenylethyl]acetamide
CID 2271193

Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-2,4-dimethylanilino]-N-[(3-propan-2-yloxyphenyl)methyl]acetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)-2,4-dimethylanilino]-N-[(3-propan-2-yloxyphenyl)methyl]acetamide (CID 30175478) is 2-[N-(benzenesulfonyl)-2,4-dimethylanilino]-N-[(3-propan-2-yloxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)-2,4-dimethylanilino]-N-[(3-propan-2-yloxyphenyl)methyl]acetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)-2,4-dimethylanilino]-N-[(3-propan-2-yloxyphenyl)methyl]acetamide is Cc1ccc(N(CC(=O)NCc2cccc(OC(C)C)c2)S(=O)(=O)c2ccccc2)c(C)c1.
What is the InChIKey of 2-[N-(benzenesulfonyl)-2,4-dimethylanilino]-N-[(3-propan-2-yloxyphenyl)methyl]acetamide?
The InChIKey is JUHWTVMMFRCNQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O4S/c1-19(2)32-23-10-8-9-22(16-23)17-27-26(29)18-28(25-14-13-20(3)15-21(25)4)33(30,31)24-11-6-5-7-12-24/h5-16,19H,17-18H2,1-4H3,(H,27,29).
What are the key properties of 2-[N-(benzenesulfonyl)-2,4-dimethylanilino]-N-[(3-propan-2-yloxyphenyl)methyl]acetamide?
2-[N-(benzenesulfonyl)-2,4-dimethylanilino]-N-[(3-propan-2-yloxyphenyl)methyl]acetamide has a molecular weight of 466.60 g/mol, XLogP of 4.60, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(benzenesulfonyl)-2,4-dimethylanilino]-N-[(3-propan-2-yloxyphenyl)methyl]acetamide is sourced from PubChem (CID 30175478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).