2-(N-(2-methoxy-5-methylphenyl)sulfonyl-3,5-dimethylanilino)-N-(2-phenylethyl)acetamide

C26H30N2O4S — CID 126394486

IUPAC2-(N-(2-methoxy-5-methylphenyl)sulfonyl-3,5-dimethylanilino)-N-(2-phenylethyl)acetamide
SMILESCOc1ccc(C)cc1S(=O)(=O)N(CC(=O)NCCc1ccccc1)c1cc(C)cc(C)c1
InChIInChI=1S/C26H30N2O4S/c1-19-10-11-24(32-4)25(17-19)33(30,31)28(23-15-20(2)14-21(3)16-23)18-26(29)27-13-12-22-8-6-5-7-9-22/h5-11,14-17H,12-13,18H2,1-4H3,(H,27,29)
InChIKeyRGUNUHIFLOEMGE-UHFFFAOYSA-N
MW466.60 g/mol
LogP4.17
Rot. Bonds9

About 2-(N-(2-methoxy-5-methylphenyl)sulfonyl-3,5-dimethylanilino)-N-(2-phenylethyl)acetamide

2-(N-(2-methoxy-5-methylphenyl)sulfonyl-3,5-dimethylanilino)-N-(2-phenylethyl)acetamide (PubChem CID 126394486) has the molecular formula C26H30N2O4S and a molecular weight of 466.60 g/mol. Its IUPAC name is 2-(N-(2-methoxy-5-methylphenyl)sulfonyl-3,5-dimethylanilino)-N-(2-phenylethyl)acetamide.

Molecular Properties

Compound Name2-(N-(2-methoxy-5-methylphenyl)sulfonyl-3,5-dimethylanilino)-N-(2-phenylethyl)acetamide
PubChem CID126394486
Molecular FormulaC26H30N2O4S
Molecular Weight466.60 g/mol
Exact Mass466.19
IUPAC Name2-(N-(2-methoxy-5-methylphenyl)sulfonyl-3,5-dimethylanilino)-N-(2-phenylethyl)acetamide
SMILESCOc1ccc(C)cc1S(=O)(=O)N(CC(=O)NCCc1ccccc1)c1cc(C)cc(C)c1
InChIInChI=1S/C26H30N2O4S/c1-19-10-11-24(32-4)25(17-19)33(30,31)28(23-15-20(2)14-21(3)16-23)18-26(29)27-13-12-22-8-6-5-7-9-22/h5-11,14-17H,12-13,18H2,1-4H3,(H,27,29)
InChIKeyRGUNUHIFLOEMGE-UHFFFAOYSA-N
XLogP4.17
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 ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[N-(benzenesulfonyl)-3,5-dimethylanilino]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 3683181
2-(N-(2-methoxy-5-methylphenyl)sulfonyl-3,5-dimethylanilino)-N-(4-methylphenyl)acetamide
CID 126393780
N-[(3,4-dimethoxyphenyl)methyl]-2-(N-(2-methoxy-5-methylphenyl)sulfonylanilino)acetamide
CID 28547274
2-(N-(2-methoxy-5-methylphenyl)sulfonylanilino)-N-(3-propan-2-yloxypropyl)acetamide
CID 126390865
2-[benzyl-(2-methoxy-5-methylphenyl)sulfonylamino]-N-(3-hydroxypropyl)acetamide
CID 3979664
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(2-methoxy-5-methylphenyl)sulfonyl-methylamino]acetamide
CID 4023832
2-(N-(2-methoxy-5-methylphenyl)sulfonylanilino)-N-propan-2-ylacetamide
CID 126395506
2-(N-(2-methoxy-5-methylphenyl)sulfonyl-3,4-dimethylanilino)-N-[(2-methoxyphenyl)methyl]acetamide
CID 126398035
2-(N-(2-methoxy-5-methylphenyl)sulfonyl-3,5-dimethylanilino)-N-(4-propan-2-ylphenyl)acetamide
CID 126393608
N-(4-ethylphenyl)-2-(N-(2-methoxy-5-methylphenyl)sulfonylanilino)acetamide
CID 126394532
2-(3,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-[3-(2-methoxyphenyl)propyl]acetamide
CID 30212432
N-(3,4-dimethylphenyl)-N-(2-hydrazinyl-2-oxoethyl)-2-methoxy-5-methylbenzenesulfonamide
CID 126394594

Frequently Asked Questions

What is the IUPAC name of 2-(N-(2-methoxy-5-methylphenyl)sulfonyl-3,5-dimethylanilino)-N-(2-phenylethyl)acetamide?
The IUPAC name of 2-(N-(2-methoxy-5-methylphenyl)sulfonyl-3,5-dimethylanilino)-N-(2-phenylethyl)acetamide (CID 126394486) is 2-(N-(2-methoxy-5-methylphenyl)sulfonyl-3,5-dimethylanilino)-N-(2-phenylethyl)acetamide.
What is the SMILES notation for 2-(N-(2-methoxy-5-methylphenyl)sulfonyl-3,5-dimethylanilino)-N-(2-phenylethyl)acetamide?
The canonical SMILES for 2-(N-(2-methoxy-5-methylphenyl)sulfonyl-3,5-dimethylanilino)-N-(2-phenylethyl)acetamide is COc1ccc(C)cc1S(=O)(=O)N(CC(=O)NCCc1ccccc1)c1cc(C)cc(C)c1.
What is the InChIKey of 2-(N-(2-methoxy-5-methylphenyl)sulfonyl-3,5-dimethylanilino)-N-(2-phenylethyl)acetamide?
The InChIKey is RGUNUHIFLOEMGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O4S/c1-19-10-11-24(32-4)25(17-19)33(30,31)28(23-15-20(2)14-21(3)16-23)18-26(29)27-13-12-22-8-6-5-7-9-22/h5-11,14-17H,12-13,18H2,1-4H3,(H,27,29).
What are the key properties of 2-(N-(2-methoxy-5-methylphenyl)sulfonyl-3,5-dimethylanilino)-N-(2-phenylethyl)acetamide?
2-(N-(2-methoxy-5-methylphenyl)sulfonyl-3,5-dimethylanilino)-N-(2-phenylethyl)acetamide has a molecular weight of 466.60 g/mol, XLogP of 4.17, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-(2-methoxy-5-methylphenyl)sulfonyl-3,5-dimethylanilino)-N-(2-phenylethyl)acetamide is sourced from PubChem (CID 126394486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).