N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-2-(2-methoxy-N-methylsulfonylanilino)acetamide

C20H26N2O6S — CID 100766570

IUPACN-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-2-(2-methoxy-N-methylsulfonylanilino)acetamide
SMILESCOc1ccc(OC)c([C@@H](C)NC(=O)CN(c2ccccc2OC)S(C)(=O)=O)c1
InChIInChI=1S/C20H26N2O6S/c1-14(16-12-15(26-2)10-11-18(16)27-3)21-20(23)13-22(29(5,24)25)17-8-6-7-9-19(17)28-4/h6-12,14H,13H2,1-5H3,(H,21,23)/t14-/m1/s1
InChIKeySTRZBNGBZRXYCR-CQSZACIVSA-N
MW422.50 g/mol
LogP2.36
Rot. Bonds9

About N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-2-(2-methoxy-N-methylsulfonylanilino)acetamide

N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-2-(2-methoxy-N-methylsulfonylanilino)acetamide (PubChem CID 100766570) has the molecular formula C20H26N2O6S and a molecular weight of 422.50 g/mol. Its IUPAC name is N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-2-(2-methoxy-N-methylsulfonylanilino)acetamide.

Molecular Properties

Compound NameN-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-2-(2-methoxy-N-methylsulfonylanilino)acetamide
PubChem CID100766570
Molecular FormulaC20H26N2O6S
Molecular Weight422.50 g/mol
Exact Mass422.15
IUPAC NameN-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-2-(2-methoxy-N-methylsulfonylanilino)acetamide
SMILESCOc1ccc(OC)c([C@@H](C)NC(=O)CN(c2ccccc2OC)S(C)(=O)=O)c1
InChIInChI=1S/C20H26N2O6S/c1-14(16-12-15(26-2)10-11-18(16)27-3)21-20(23)13-22(29(5,24)25)17-8-6-7-9-19(17)28-4/h6-12,14H,13H2,1-5H3,(H,21,23)/t14-/m1/s1
InChIKeySTRZBNGBZRXYCR-CQSZACIVSA-N
XLogP2.36
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.50
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2-(2-methyl-N-methylsulfonylanilino)acetamide
CID 9477701
2-(2,4-dimethoxy-N-methylsulfonylanilino)-N-[1-(2,5-dimethoxyphenyl)ethyl]acetamide
CID 133163169
N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-2-(2-methoxy-N-(4-methoxyphenyl)sulfonylanilino)acetamide
CID 125065161
N-[1-(2,5-dimethoxyphenyl)ethyl]-4-(2-methoxy-N-methylsulfonylanilino)butanamide
CID 133210923
N-[1-(3,4-dimethoxyphenyl)ethyl]-2-(2-methoxy-N-methylsulfonylanilino)acetamide
CID 43904621
2-(2-fluoro-N-methylsulfonylanilino)-N-[1-(2-methoxyphenyl)ethyl]acetamide
CID 133228044
2-(2,5-dimethoxy-N-methylsulfonylanilino)-N-[(1S)-1-(4-fluorophenyl)ethyl]acetamide
CID 94012884
2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-[1-(2,5-dimethoxyphenyl)ethyl]acetamide
CID 133210038
N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-2-(N-(4-methoxyphenyl)sulfonylanilino)acetamide
CID 125048875
2-(4-bromo-3-methyl-N-methylsulfonylanilino)-N-[1-(2,5-dimethoxyphenyl)ethyl]acetamide
CID 133209974
2-(2,5-dimethoxy-N-methylsulfonylanilino)-N-(2,4-dimethylpentan-3-yl)acetamide
CID 4659789
2-(2,5-dimethoxy-N-methylsulfonylanilino)-N-[(1R)-1-(4-methylphenyl)ethyl]acetamide
CID 93488377

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-2-(2-methoxy-N-methylsulfonylanilino)acetamide?
The IUPAC name of N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-2-(2-methoxy-N-methylsulfonylanilino)acetamide (CID 100766570) is N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-2-(2-methoxy-N-methylsulfonylanilino)acetamide.
What is the SMILES notation for N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-2-(2-methoxy-N-methylsulfonylanilino)acetamide?
The canonical SMILES for N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-2-(2-methoxy-N-methylsulfonylanilino)acetamide is COc1ccc(OC)c([C@@H](C)NC(=O)CN(c2ccccc2OC)S(C)(=O)=O)c1.
What is the InChIKey of N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-2-(2-methoxy-N-methylsulfonylanilino)acetamide?
The InChIKey is STRZBNGBZRXYCR-CQSZACIVSA-N. The full InChI is InChI=1S/C20H26N2O6S/c1-14(16-12-15(26-2)10-11-18(16)27-3)21-20(23)13-22(29(5,24)25)17-8-6-7-9-19(17)28-4/h6-12,14H,13H2,1-5H3,(H,21,23)/t14-/m1/s1.
What are the key properties of N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-2-(2-methoxy-N-methylsulfonylanilino)acetamide?
N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-2-(2-methoxy-N-methylsulfonylanilino)acetamide has a molecular weight of 422.50 g/mol, XLogP of 2.36, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-2-(2-methoxy-N-methylsulfonylanilino)acetamide is sourced from PubChem (CID 100766570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).