2-[N-(benzenesulfonyl)-2,4-dimethylanilino]-N-[1-(4-methylphenoxy)propan-2-yl]acetamide

C26H30N2O4S — CID 43891983

IUPAC2-[N-(benzenesulfonyl)-2,4-dimethylanilino]-N-[1-(4-methylphenoxy)propan-2-yl]acetamide
SMILESCc1ccc(OCC(C)NC(=O)CN(c2ccc(C)cc2C)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C26H30N2O4S/c1-19-10-13-23(14-11-19)32-18-22(4)27-26(29)17-28(25-15-12-20(2)16-21(25)3)33(30,31)24-8-6-5-7-9-24/h5-16,22H,17-18H2,1-4H3,(H,27,29)
InChIKeyGGMBVHZOSHTMNW-UHFFFAOYSA-N
MW466.60 g/mol
LogP4.39
Rot. Bonds9

About 2-[N-(benzenesulfonyl)-2,4-dimethylanilino]-N-[1-(4-methylphenoxy)propan-2-yl]acetamide

2-[N-(benzenesulfonyl)-2,4-dimethylanilino]-N-[1-(4-methylphenoxy)propan-2-yl]acetamide (PubChem CID 43891983) 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-[1-(4-methylphenoxy)propan-2-yl]acetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)-2,4-dimethylanilino]-N-[1-(4-methylphenoxy)propan-2-yl]acetamide
PubChem CID43891983
Molecular FormulaC26H30N2O4S
Molecular Weight466.60 g/mol
Exact Mass466.19
IUPAC Name2-[N-(benzenesulfonyl)-2,4-dimethylanilino]-N-[1-(4-methylphenoxy)propan-2-yl]acetamide
SMILESCc1ccc(OCC(C)NC(=O)CN(c2ccc(C)cc2C)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C26H30N2O4S/c1-19-10-13-23(14-11-19)32-18-22(4)27-26(29)17-28(25-15-12-20(2)16-21(25)3)33(30,31)24-8-6-5-7-9-24/h5-16,22H,17-18H2,1-4H3,(H,27,29)
InChIKeyGGMBVHZOSHTMNW-UHFFFAOYSA-N
XLogP4.39
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 ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[N-(benzenesulfonyl)-2,3-dimethylanilino]-N-[1-(4-methylphenoxy)propan-2-yl]acetamide
CID 43897651
2-[N-(benzenesulfonyl)-2-methoxy-5-methylanilino]-N-[1-(4-methoxyphenoxy)propan-2-yl]acetamide
CID 43902063
2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-[1-(4-methylphenoxy)propan-2-yl]acetamide
CID 43892470
2-[N-(benzenesulfonyl)-2,3-dichloroanilino]-N-[1-(4-methylphenoxy)propan-2-yl]acetamide
CID 43893493
2-[N-(benzenesulfonyl)-2,4-dimethylanilino]-N-[(1R)-1-phenylethyl]acetamide
CID 2271193
2-(2-ethoxy-N-(4-methylphenyl)sulfonylanilino)-N-[1-(4-methylphenoxy)propan-2-yl]acetamide
CID 43894310
2-(N-(4-ethoxyphenyl)sulfonylanilino)-N-[1-(4-methylphenoxy)propan-2-yl]acetamide
CID 43897149
N-[1-(4-methoxyphenoxy)propan-2-yl]-2-(N-(4-methylphenyl)sulfonylanilino)acetamide
CID 43902234
2-[N-(benzenesulfonyl)-3,4-dimethoxyanilino]-N-[1-(4-methylphenoxy)propan-2-yl]acetamide
CID 43892699
2-(N-(4-chlorophenyl)sulfonyl-3-methylanilino)-N-[1-(4-methylphenoxy)propan-2-yl]acetamide
CID 43899060
2-[N-(benzenesulfonyl)-2,4-dimethylanilino]-N-[(1S)-1-(4-methoxyphenyl)propyl]acetamide
CID 30175779
2-(2,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-[1-(4-methylphenyl)ethyl]acetamide
CID 43902286

Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-2,4-dimethylanilino]-N-[1-(4-methylphenoxy)propan-2-yl]acetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)-2,4-dimethylanilino]-N-[1-(4-methylphenoxy)propan-2-yl]acetamide (CID 43891983) is 2-[N-(benzenesulfonyl)-2,4-dimethylanilino]-N-[1-(4-methylphenoxy)propan-2-yl]acetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)-2,4-dimethylanilino]-N-[1-(4-methylphenoxy)propan-2-yl]acetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)-2,4-dimethylanilino]-N-[1-(4-methylphenoxy)propan-2-yl]acetamide is Cc1ccc(OCC(C)NC(=O)CN(c2ccc(C)cc2C)S(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of 2-[N-(benzenesulfonyl)-2,4-dimethylanilino]-N-[1-(4-methylphenoxy)propan-2-yl]acetamide?
The InChIKey is GGMBVHZOSHTMNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O4S/c1-19-10-13-23(14-11-19)32-18-22(4)27-26(29)17-28(25-15-12-20(2)16-21(25)3)33(30,31)24-8-6-5-7-9-24/h5-16,22H,17-18H2,1-4H3,(H,27,29).
What are the key properties of 2-[N-(benzenesulfonyl)-2,4-dimethylanilino]-N-[1-(4-methylphenoxy)propan-2-yl]acetamide?
2-[N-(benzenesulfonyl)-2,4-dimethylanilino]-N-[1-(4-methylphenoxy)propan-2-yl]acetamide has a molecular weight of 466.60 g/mol, XLogP of 4.39, 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-[1-(4-methylphenoxy)propan-2-yl]acetamide is sourced from PubChem (CID 43891983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).