2-(3,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-[(1S)-1-phenylpropyl]acetamide

C26H30N2O3S — CID 28567224

IUPAC2-(3,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-[(1S)-1-phenylpropyl]acetamide
SMILESCC[C@H](NC(=O)CN(c1cc(C)cc(C)c1)S(=O)(=O)c1ccc(C)cc1)c1ccccc1
InChIInChI=1S/C26H30N2O3S/c1-5-25(22-9-7-6-8-10-22)27-26(29)18-28(23-16-20(3)15-21(4)17-23)32(30,31)24-13-11-19(2)12-14-24/h6-17,25H,5,18H2,1-4H3,(H,27,29)/t25-/m0/s1
InChIKeyCFTBGIWBZYTKFW-VWLOTQADSA-N
MW450.60 g/mol
LogP5.07
Rot. Bonds8

About 2-(3,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-[(1S)-1-phenylpropyl]acetamide

2-(3,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-[(1S)-1-phenylpropyl]acetamide (PubChem CID 28567224) has the molecular formula C26H30N2O3S and a molecular weight of 450.60 g/mol. Its IUPAC name is 2-(3,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-[(1S)-1-phenylpropyl]acetamide.

Molecular Properties

Compound Name2-(3,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-[(1S)-1-phenylpropyl]acetamide
PubChem CID28567224
Molecular FormulaC26H30N2O3S
Molecular Weight450.60 g/mol
Exact Mass450.20
IUPAC Name2-(3,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-[(1S)-1-phenylpropyl]acetamide
SMILESCC[C@H](NC(=O)CN(c1cc(C)cc(C)c1)S(=O)(=O)c1ccc(C)cc1)c1ccccc1
InChIInChI=1S/C26H30N2O3S/c1-5-25(22-9-7-6-8-10-22)27-26(29)18-28(23-16-20(3)15-21(4)17-23)32(30,31)24-13-11-19(2)12-14-24/h6-17,25H,5,18H2,1-4H3,(H,27,29)/t25-/m0/s1
InChIKeyCFTBGIWBZYTKFW-VWLOTQADSA-N
XLogP5.07
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.60
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-[(1S)-1-(4-methylphenyl)propyl]acetamide
CID 30306136
2-(3,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-[(1R)-3-methyl-1-phenylbutyl]acetamide
CID 30306138
2-[N-(benzenesulfonyl)anilino]-N-[(1S)-1-(4-methylphenyl)propyl]acetamide
CID 28572138
2-(N-(4-fluorophenyl)sulfonyl-4-methylanilino)-N-(1-phenylpropyl)acetamide
CID 46770565
2-(3,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-[1-(3,4-dimethylphenyl)propyl]acetamide
CID 43893837
2-(N-(3,4-dimethoxyphenyl)sulfonyl-3,5-dimethylanilino)-N-[(1R)-1-phenylpropyl]acetamide
CID 38014275
2-(3-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-[(1S)-1-phenylpropyl]acetamide
CID 30306621
2-(N-(4-chlorophenyl)sulfonyl-3-methylanilino)-N-[1-(4-methylphenyl)propyl]acetamide
CID 43886521
2-[N-(benzenesulfonyl)-4-methylanilino]-N-[1-(3,4-dimethylphenyl)propyl]acetamide
CID 43891965
2-(3-chloro-N-(4-methylphenyl)sulfonylanilino)-N-[1-(4-methylphenyl)propyl]acetamide
CID 43902361
2-(4-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[(1R)-3-methyl-1-phenylbutyl]acetamide
CID 30305941
2-(4-chloro-N-(4-methylphenyl)sulfonylanilino)-N-[(1S)-1-(4-methylphenyl)propyl]acetamide
CID 28567843

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-[(1S)-1-phenylpropyl]acetamide?
The IUPAC name of 2-(3,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-[(1S)-1-phenylpropyl]acetamide (CID 28567224) is 2-(3,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-[(1S)-1-phenylpropyl]acetamide.
What is the SMILES notation for 2-(3,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-[(1S)-1-phenylpropyl]acetamide?
The canonical SMILES for 2-(3,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-[(1S)-1-phenylpropyl]acetamide is CC[C@H](NC(=O)CN(c1cc(C)cc(C)c1)S(=O)(=O)c1ccc(C)cc1)c1ccccc1.
What is the InChIKey of 2-(3,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-[(1S)-1-phenylpropyl]acetamide?
The InChIKey is CFTBGIWBZYTKFW-VWLOTQADSA-N. The full InChI is InChI=1S/C26H30N2O3S/c1-5-25(22-9-7-6-8-10-22)27-26(29)18-28(23-16-20(3)15-21(4)17-23)32(30,31)24-13-11-19(2)12-14-24/h6-17,25H,5,18H2,1-4H3,(H,27,29)/t25-/m0/s1.
What are the key properties of 2-(3,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-[(1S)-1-phenylpropyl]acetamide?
2-(3,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-[(1S)-1-phenylpropyl]acetamide has a molecular weight of 450.60 g/mol, XLogP of 5.07, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-[(1S)-1-phenylpropyl]acetamide is sourced from PubChem (CID 28567224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).