N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-2-(2-methoxy-N-(4-methoxyphenyl)sulfonylanilino)acetamide

C26H30N2O7S — CID 125065161

IUPACN-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-2-(2-methoxy-N-(4-methoxyphenyl)sulfonylanilino)acetamide
SMILESCOc1ccc(S(=O)(=O)N(CC(=O)N[C@H](C)c2cc(OC)ccc2OC)c2ccccc2OC)cc1
InChIInChI=1S/C26H30N2O7S/c1-18(22-16-20(33-3)12-15-24(22)34-4)27-26(29)17-28(23-8-6-7-9-25(23)35-5)36(30,31)21-13-10-19(32-2)11-14-21/h6-16,18H,17H2,1-5H3,(H,27,29)/t18-/m1/s1
InChIKeyZKLXHVJQWSAOQS-GOSISDBHSA-N
MW514.60 g/mol
LogP3.79
Rot. Bonds11

About N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-2-(2-methoxy-N-(4-methoxyphenyl)sulfonylanilino)acetamide

N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-2-(2-methoxy-N-(4-methoxyphenyl)sulfonylanilino)acetamide (PubChem CID 125065161) has the molecular formula C26H30N2O7S and a molecular weight of 514.60 g/mol. Its IUPAC name is N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-2-(2-methoxy-N-(4-methoxyphenyl)sulfonylanilino)acetamide.

Molecular Properties

Compound NameN-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-2-(2-methoxy-N-(4-methoxyphenyl)sulfonylanilino)acetamide
PubChem CID125065161
Molecular FormulaC26H30N2O7S
Molecular Weight514.60 g/mol
Exact Mass514.18
IUPAC NameN-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-2-(2-methoxy-N-(4-methoxyphenyl)sulfonylanilino)acetamide
SMILESCOc1ccc(S(=O)(=O)N(CC(=O)N[C@H](C)c2cc(OC)ccc2OC)c2ccccc2OC)cc1
InChIInChI=1S/C26H30N2O7S/c1-18(22-16-20(33-3)12-15-24(22)34-4)27-26(29)17-28(23-8-6-7-9-25(23)35-5)36(30,31)21-13-10-19(32-2)11-14-21/h6-16,18H,17H2,1-5H3,(H,27,29)/t18-/m1/s1
InChIKeyZKLXHVJQWSAOQS-GOSISDBHSA-N
XLogP3.79
TPSA103.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500514.60
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-2-(N-(4-methoxyphenyl)sulfonylanilino)acetamide
CID 125048875
N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-2-(2-methoxy-N-methylsulfonylanilino)acetamide
CID 100766570
2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-[1-(2,5-dimethoxyphenyl)ethyl]acetamide
CID 133210038
N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-2-(2-methoxy-N-(4-methoxyphenyl)sulfonylanilino)acetamide
CID 92682945
2-(N-(4-chlorophenyl)sulfonylanilino)-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]acetamide
CID 100758756
2-[N-(benzenesulfonyl)-2-methoxyanilino]-N-[1-(4-methoxyphenyl)ethyl]acetamide
CID 43902149
N-[1-(3,4-dimethylphenyl)ethyl]-2-(2-methoxy-N-(4-methoxyphenyl)sulfonylanilino)acetamide
CID 43897780
2-[N-(benzenesulfonyl)-5-chloro-2-methylanilino]-N-[1-(2,5-dimethoxyphenyl)ethyl]acetamide
CID 133200085
N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2-(2-methyl-N-methylsulfonylanilino)acetamide
CID 9477701
2-[N-(benzenesulfonyl)-2,5-dimethoxyanilino]-N-(1-phenylethyl)acetamide
CID 2889683
2-[N-(benzenesulfonyl)-4-ethoxyanilino]-N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]acetamide
CID 125058440
2-(2-methoxy-N-(4-methoxyphenyl)sulfonylanilino)-N-[1-(2-methylphenoxy)propan-2-yl]acetamide
CID 43897761

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-2-(2-methoxy-N-(4-methoxyphenyl)sulfonylanilino)acetamide?
The IUPAC name of N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-2-(2-methoxy-N-(4-methoxyphenyl)sulfonylanilino)acetamide (CID 125065161) is N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-2-(2-methoxy-N-(4-methoxyphenyl)sulfonylanilino)acetamide.
What is the SMILES notation for N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-2-(2-methoxy-N-(4-methoxyphenyl)sulfonylanilino)acetamide?
The canonical SMILES for N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-2-(2-methoxy-N-(4-methoxyphenyl)sulfonylanilino)acetamide is COc1ccc(S(=O)(=O)N(CC(=O)N[C@H](C)c2cc(OC)ccc2OC)c2ccccc2OC)cc1.
What is the InChIKey of N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-2-(2-methoxy-N-(4-methoxyphenyl)sulfonylanilino)acetamide?
The InChIKey is ZKLXHVJQWSAOQS-GOSISDBHSA-N. The full InChI is InChI=1S/C26H30N2O7S/c1-18(22-16-20(33-3)12-15-24(22)34-4)27-26(29)17-28(23-8-6-7-9-25(23)35-5)36(30,31)21-13-10-19(32-2)11-14-21/h6-16,18H,17H2,1-5H3,(H,27,29)/t18-/m1/s1.
What are the key properties of N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-2-(2-methoxy-N-(4-methoxyphenyl)sulfonylanilino)acetamide?
N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-2-(2-methoxy-N-(4-methoxyphenyl)sulfonylanilino)acetamide has a molecular weight of 514.60 g/mol, XLogP of 3.79, 11 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-2-(2-methoxy-N-(4-methoxyphenyl)sulfonylanilino)acetamide is sourced from PubChem (CID 125065161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).