N-[(3,4-dimethoxyphenyl)methyl]-2-(N-(2-methoxy-5-methylphenyl)sulfonylanilino)acetamide

C25H28N2O6S — CID 28547274

IUPACN-[(3,4-dimethoxyphenyl)methyl]-2-(N-(2-methoxy-5-methylphenyl)sulfonylanilino)acetamide
SMILESCOc1ccc(CNC(=O)CN(c2ccccc2)S(=O)(=O)c2cc(C)ccc2OC)cc1OC
InChIInChI=1S/C25H28N2O6S/c1-18-10-12-22(32-3)24(14-18)34(29,30)27(20-8-6-5-7-9-20)17-25(28)26-16-19-11-13-21(31-2)23(15-19)33-4/h5-15H,16-17H2,1-4H3,(H,26,28)
InChIKeyLDQAJLKJBZYNIO-UHFFFAOYSA-N
MW484.57 g/mol
LogP3.53
Rot. Bonds10

About N-[(3,4-dimethoxyphenyl)methyl]-2-(N-(2-methoxy-5-methylphenyl)sulfonylanilino)acetamide

N-[(3,4-dimethoxyphenyl)methyl]-2-(N-(2-methoxy-5-methylphenyl)sulfonylanilino)acetamide (PubChem CID 28547274) has the molecular formula C25H28N2O6S and a molecular weight of 484.57 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)methyl]-2-(N-(2-methoxy-5-methylphenyl)sulfonylanilino)acetamide.

Molecular Properties

Compound NameN-[(3,4-dimethoxyphenyl)methyl]-2-(N-(2-methoxy-5-methylphenyl)sulfonylanilino)acetamide
PubChem CID28547274
Molecular FormulaC25H28N2O6S
Molecular Weight484.57 g/mol
Exact Mass484.17
IUPAC NameN-[(3,4-dimethoxyphenyl)methyl]-2-(N-(2-methoxy-5-methylphenyl)sulfonylanilino)acetamide
SMILESCOc1ccc(CNC(=O)CN(c2ccccc2)S(=O)(=O)c2cc(C)ccc2OC)cc1OC
InChIInChI=1S/C25H28N2O6S/c1-18-10-12-22(32-3)24(14-18)34(29,30)27(20-8-6-5-7-9-20)17-25(28)26-16-19-11-13-21(31-2)23(15-19)33-4/h5-15H,16-17H2,1-4H3,(H,26,28)
InChIKeyLDQAJLKJBZYNIO-UHFFFAOYSA-N
XLogP3.53
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.57
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[N-(benzenesulfonyl)-3-methylanilino]-N-[(3,4-dimethoxyphenyl)methyl]acetamide
CID 26565937
N-[(3,4-dimethoxyphenyl)methyl]-2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-methylanilino)acetamide
CID 92676228
2-(N-(2-methoxy-5-methylphenyl)sulfonylanilino)-N-propan-2-ylacetamide
CID 126395506
N-(4-ethylphenyl)-2-(N-(2-methoxy-5-methylphenyl)sulfonylanilino)acetamide
CID 126394532
2-(3,4-dimethoxy-N-(4-methylphenyl)sulfonylanilino)-N-[(3,4-dimethoxyphenyl)methyl]acetamide
CID 30306922
N-[(3,4-dimethoxyphenyl)methyl]-2-(N-(4-ethoxyphenyl)sulfonylanilino)acetamide
CID 28571064
2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-methylanilino)-N-[(4-methylphenyl)methyl]acetamide
CID 1118204
2-[N-(benzenesulfonyl)anilino]-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]acetamide
CID 30174005
2-(N-(2-methoxy-5-methylphenyl)sulfonyl-3,5-dimethylanilino)-N-(2-phenylethyl)acetamide
CID 126394486
2-(N-(2-methoxy-5-methylphenyl)sulfonylanilino)-N-(3-propan-2-yloxypropyl)acetamide
CID 126390865
2-[N-(benzenesulfonyl)-3-chloroanilino]-N-[(3,4-dimethoxyphenyl)methyl]acetamide
CID 92686228
2-(N-(2-methoxy-5-methylphenyl)sulfonyl-3,4-dimethylanilino)-N-[(2-methoxyphenyl)methyl]acetamide
CID 126398035

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-2-(N-(2-methoxy-5-methylphenyl)sulfonylanilino)acetamide?
The IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-2-(N-(2-methoxy-5-methylphenyl)sulfonylanilino)acetamide (CID 28547274) is N-[(3,4-dimethoxyphenyl)methyl]-2-(N-(2-methoxy-5-methylphenyl)sulfonylanilino)acetamide.
What is the SMILES notation for N-[(3,4-dimethoxyphenyl)methyl]-2-(N-(2-methoxy-5-methylphenyl)sulfonylanilino)acetamide?
The canonical SMILES for N-[(3,4-dimethoxyphenyl)methyl]-2-(N-(2-methoxy-5-methylphenyl)sulfonylanilino)acetamide is COc1ccc(CNC(=O)CN(c2ccccc2)S(=O)(=O)c2cc(C)ccc2OC)cc1OC.
What is the InChIKey of N-[(3,4-dimethoxyphenyl)methyl]-2-(N-(2-methoxy-5-methylphenyl)sulfonylanilino)acetamide?
The InChIKey is LDQAJLKJBZYNIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O6S/c1-18-10-12-22(32-3)24(14-18)34(29,30)27(20-8-6-5-7-9-20)17-25(28)26-16-19-11-13-21(31-2)23(15-19)33-4/h5-15H,16-17H2,1-4H3,(H,26,28).
What are the key properties of N-[(3,4-dimethoxyphenyl)methyl]-2-(N-(2-methoxy-5-methylphenyl)sulfonylanilino)acetamide?
N-[(3,4-dimethoxyphenyl)methyl]-2-(N-(2-methoxy-5-methylphenyl)sulfonylanilino)acetamide has a molecular weight of 484.57 g/mol, XLogP of 3.53, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethoxyphenyl)methyl]-2-(N-(2-methoxy-5-methylphenyl)sulfonylanilino)acetamide is sourced from PubChem (CID 28547274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).