2-(2,3-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-[(1R)-1-(2-methoxyphenyl)ethyl]acetamide

C26H30N2O4S — CID 100736706

IUPAC2-(2,3-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-[(1R)-1-(2-methoxyphenyl)ethyl]acetamide
SMILESCOc1ccccc1[C@@H](C)NC(=O)CN(c1cccc(C)c1C)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C26H30N2O4S/c1-18-13-15-22(16-14-18)33(30,31)28(24-11-8-9-19(2)20(24)3)17-26(29)27-21(4)23-10-6-7-12-25(23)32-5/h6-16,21H,17H2,1-5H3,(H,27,29)/t21-/m1/s1
InChIKeyTYXCMTLJCYXJLX-OAQYLSRUSA-N
MW466.60 g/mol
LogP4.69
Rot. Bonds8

About 2-(2,3-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-[(1R)-1-(2-methoxyphenyl)ethyl]acetamide

2-(2,3-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-[(1R)-1-(2-methoxyphenyl)ethyl]acetamide (PubChem CID 100736706) has the molecular formula C26H30N2O4S and a molecular weight of 466.60 g/mol. Its IUPAC name is 2-(2,3-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-[(1R)-1-(2-methoxyphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(2,3-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-[(1R)-1-(2-methoxyphenyl)ethyl]acetamide
PubChem CID100736706
Molecular FormulaC26H30N2O4S
Molecular Weight466.60 g/mol
Exact Mass466.19
IUPAC Name2-(2,3-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-[(1R)-1-(2-methoxyphenyl)ethyl]acetamide
SMILESCOc1ccccc1[C@@H](C)NC(=O)CN(c1cccc(C)c1C)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C26H30N2O4S/c1-18-13-15-22(16-14-18)33(30,31)28(24-11-8-9-19(2)20(24)3)17-26(29)27-21(4)23-10-6-7-12-25(23)32-5/h6-16,21H,17H2,1-5H3,(H,27,29)/t21-/m1/s1
InChIKeyTYXCMTLJCYXJLX-OAQYLSRUSA-N
XLogP4.69
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.60
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-[1-(2-methoxyphenyl)ethyl]acetamide
CID 133160554
2-[N-(benzenesulfonyl)-2,3-dimethylanilino]-N-[(1R)-1-(4-methylphenyl)ethyl]acetamide
CID 92672852
2-(4-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-[1-(2-methoxyphenyl)ethyl]acetamide
CID 24607004
N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-2-(2-methoxy-N-(4-methoxyphenyl)sulfonylanilino)acetamide
CID 92682945
N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 30305796
2-[N-(benzenesulfonyl)-2,3-dichloroanilino]-N-[(1R)-1-(2-methoxyphenyl)ethyl]acetamide
CID 100772312
2-(2,3-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-(2-methylpropyl)acetamide
CID 53280413
2-(2,3-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-[(2,3,4-trimethoxyphenyl)methyl]acetamide
CID 30229852
4-(2,3-dimethyl-N-methylsulfonylanilino)-N-[1-(2-methoxyphenyl)ethyl]butanamide
CID 133187595
2-[N-(benzenesulfonyl)-2,3-dimethylanilino]-N-[1-(4-methylphenoxy)propan-2-yl]acetamide
CID 43897651
N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-2-(2-methoxy-N-(4-methoxyphenyl)sulfonylanilino)acetamide
CID 125065161
2-[N-(benzenesulfonyl)-3,5-dimethylanilino]-N-[1-(2-methoxyphenyl)ethyl]acetamide
CID 133158342

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-[(1R)-1-(2-methoxyphenyl)ethyl]acetamide?
The IUPAC name of 2-(2,3-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-[(1R)-1-(2-methoxyphenyl)ethyl]acetamide (CID 100736706) is 2-(2,3-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-[(1R)-1-(2-methoxyphenyl)ethyl]acetamide.
What is the SMILES notation for 2-(2,3-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-[(1R)-1-(2-methoxyphenyl)ethyl]acetamide?
The canonical SMILES for 2-(2,3-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-[(1R)-1-(2-methoxyphenyl)ethyl]acetamide is COc1ccccc1[C@@H](C)NC(=O)CN(c1cccc(C)c1C)S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of 2-(2,3-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-[(1R)-1-(2-methoxyphenyl)ethyl]acetamide?
The InChIKey is TYXCMTLJCYXJLX-OAQYLSRUSA-N. The full InChI is InChI=1S/C26H30N2O4S/c1-18-13-15-22(16-14-18)33(30,31)28(24-11-8-9-19(2)20(24)3)17-26(29)27-21(4)23-10-6-7-12-25(23)32-5/h6-16,21H,17H2,1-5H3,(H,27,29)/t21-/m1/s1.
What are the key properties of 2-(2,3-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-[(1R)-1-(2-methoxyphenyl)ethyl]acetamide?
2-(2,3-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-[(1R)-1-(2-methoxyphenyl)ethyl]acetamide has a molecular weight of 466.60 g/mol, XLogP of 4.69, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-[(1R)-1-(2-methoxyphenyl)ethyl]acetamide is sourced from PubChem (CID 100736706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).