2-[N-(benzenesulfonyl)-3,5-dimethylanilino]-N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]acetamide

C26H30N2O5S — CID 92672635

IUPAC2-[N-(benzenesulfonyl)-3,5-dimethylanilino]-N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]acetamide
SMILESCOc1ccc([C@@H](C)NC(=O)CN(c2cc(C)cc(C)c2)S(=O)(=O)c2ccccc2)cc1OC
InChIInChI=1S/C26H30N2O5S/c1-18-13-19(2)15-22(14-18)28(34(30,31)23-9-7-6-8-10-23)17-26(29)27-20(3)21-11-12-24(32-4)25(16-21)33-5/h6-16,20H,17H2,1-5H3,(H,27,29)/t20-/m1/s1
InChIKeyIHJJPVWZKWKOEH-HXUWFJFHSA-N
MW482.60 g/mol
LogP4.39
Rot. Bonds9

About 2-[N-(benzenesulfonyl)-3,5-dimethylanilino]-N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]acetamide

2-[N-(benzenesulfonyl)-3,5-dimethylanilino]-N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]acetamide (PubChem CID 92672635) has the molecular formula C26H30N2O5S and a molecular weight of 482.60 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-3,5-dimethylanilino]-N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)-3,5-dimethylanilino]-N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]acetamide
PubChem CID92672635
Molecular FormulaC26H30N2O5S
Molecular Weight482.60 g/mol
Exact Mass482.19
IUPAC Name2-[N-(benzenesulfonyl)-3,5-dimethylanilino]-N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]acetamide
SMILESCOc1ccc([C@@H](C)NC(=O)CN(c2cc(C)cc(C)c2)S(=O)(=O)c2ccccc2)cc1OC
InChIInChI=1S/C26H30N2O5S/c1-18-13-19(2)15-22(14-18)28(34(30,31)23-9-7-6-8-10-23)17-26(29)27-20(3)21-11-12-24(32-4)25(16-21)33-5/h6-16,20H,17H2,1-5H3,(H,27,29)/t20-/m1/s1
InChIKeyIHJJPVWZKWKOEH-HXUWFJFHSA-N
XLogP4.39
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.60
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[N-(benzenesulfonyl)-3,4-dimethoxyanilino]-N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 30304615
2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 92671858
2-[N-(benzenesulfonyl)-4-iodoanilino]-N-[1-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 43916981
2-(N-(3,4-dimethoxyphenyl)sulfonyl-3,5-dimethylanilino)-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide
CID 92681921
2-[N-(benzenesulfonyl)-3,5-dimethylanilino]-N-[1-(2-methoxyphenyl)ethyl]acetamide
CID 133158342
2-[N-(benzenesulfonyl)-3-methoxyanilino]-N-[1-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 43876650
2-[N-(benzenesulfonyl)-3,4-dichloroanilino]-N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 30305601
2-(N-(3,4-dimethoxyphenyl)sulfonyl-3,5-dimethylanilino)-N-[1-(4-methoxyphenyl)ethyl]acetamide
CID 46771368
2-(N-(3,4-dimethoxyphenyl)sulfonyl-3,5-dimethylanilino)-N-[(1R)-1-phenylpropyl]acetamide
CID 38014275
2-[N-(benzenesulfonyl)-3,5-dimethylanilino]-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]acetamide
CID 30176390
2-[N-(benzenesulfonyl)-3-chloro-4-fluoroanilino]-N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 92673919
N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-2-(3-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 92678299

Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-3,5-dimethylanilino]-N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]acetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)-3,5-dimethylanilino]-N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]acetamide (CID 92672635) is 2-[N-(benzenesulfonyl)-3,5-dimethylanilino]-N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]acetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)-3,5-dimethylanilino]-N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]acetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)-3,5-dimethylanilino]-N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]acetamide is COc1ccc([C@@H](C)NC(=O)CN(c2cc(C)cc(C)c2)S(=O)(=O)c2ccccc2)cc1OC.
What is the InChIKey of 2-[N-(benzenesulfonyl)-3,5-dimethylanilino]-N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]acetamide?
The InChIKey is IHJJPVWZKWKOEH-HXUWFJFHSA-N. The full InChI is InChI=1S/C26H30N2O5S/c1-18-13-19(2)15-22(14-18)28(34(30,31)23-9-7-6-8-10-23)17-26(29)27-20(3)21-11-12-24(32-4)25(16-21)33-5/h6-16,20H,17H2,1-5H3,(H,27,29)/t20-/m1/s1.
What are the key properties of 2-[N-(benzenesulfonyl)-3,5-dimethylanilino]-N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]acetamide?
2-[N-(benzenesulfonyl)-3,5-dimethylanilino]-N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]acetamide has a molecular weight of 482.60 g/mol, XLogP of 4.39, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(benzenesulfonyl)-3,5-dimethylanilino]-N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]acetamide is sourced from PubChem (CID 92672635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).