2-(N-(3,4-dimethoxyphenyl)sulfonyl-2-fluoroanilino)-N-[(3-methylphenyl)methyl]acetamide

C24H25FN2O5S — CID 30272961

IUPAC2-(N-(3,4-dimethoxyphenyl)sulfonyl-2-fluoroanilino)-N-[(3-methylphenyl)methyl]acetamide
SMILESCOc1ccc(S(=O)(=O)N(CC(=O)NCc2cccc(C)c2)c2ccccc2F)cc1OC
InChIInChI=1S/C24H25FN2O5S/c1-17-7-6-8-18(13-17)15-26-24(28)16-27(21-10-5-4-9-20(21)25)33(29,30)19-11-12-22(31-2)23(14-19)32-3/h4-14H,15-16H2,1-3H3,(H,26,28)
InChIKeyXADLZEPITXEDCG-UHFFFAOYSA-N
MW472.54 g/mol
LogP3.66
Rot. Bonds9

About 2-(N-(3,4-dimethoxyphenyl)sulfonyl-2-fluoroanilino)-N-[(3-methylphenyl)methyl]acetamide

2-(N-(3,4-dimethoxyphenyl)sulfonyl-2-fluoroanilino)-N-[(3-methylphenyl)methyl]acetamide (PubChem CID 30272961) has the molecular formula C24H25FN2O5S and a molecular weight of 472.54 g/mol. Its IUPAC name is 2-(N-(3,4-dimethoxyphenyl)sulfonyl-2-fluoroanilino)-N-[(3-methylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(N-(3,4-dimethoxyphenyl)sulfonyl-2-fluoroanilino)-N-[(3-methylphenyl)methyl]acetamide
PubChem CID30272961
Molecular FormulaC24H25FN2O5S
Molecular Weight472.54 g/mol
Exact Mass472.15
IUPAC Name2-(N-(3,4-dimethoxyphenyl)sulfonyl-2-fluoroanilino)-N-[(3-methylphenyl)methyl]acetamide
SMILESCOc1ccc(S(=O)(=O)N(CC(=O)NCc2cccc(C)c2)c2ccccc2F)cc1OC
InChIInChI=1S/C24H25FN2O5S/c1-17-7-6-8-18(13-17)15-26-24(28)16-27(21-10-5-4-9-20(21)25)33(29,30)19-11-12-22(31-2)23(14-19)32-3/h4-14H,15-16H2,1-3H3,(H,26,28)
InChIKeyXADLZEPITXEDCG-UHFFFAOYSA-N
XLogP3.66
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.54
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-2-(N-(3,4-dimethoxyphenyl)sulfonyl-2-fluoroanilino)acetamide
CID 30256831
2-(N-(3,4-dimethoxyphenyl)sulfonyl-2-fluoroanilino)-N-(pyridin-4-ylmethyl)acetamide
CID 30265573
N-[(3,4-diethoxyphenyl)methyl]-2-(N-(3,4-dimethoxyphenyl)sulfonyl-2-fluoroanilino)acetamide
CID 43901024
2-(N-(3,4-dimethoxyphenyl)sulfonyl-2-fluoroanilino)-N-[3-(4-methylphenyl)propyl]acetamide
CID 30271537
2-(N-(3,4-dimethoxyphenyl)sulfonyl-2-fluoroanilino)-N-naphthalen-1-ylacetamide
CID 30259391
N-(2-benzylbutyl)-2-(N-(3,4-dimethoxyphenyl)sulfonyl-2-fluoroanilino)acetamide
CID 43901290
2-(N-(3,4-dimethoxyphenyl)sulfonyl-2-fluoroanilino)-N-(3-fluorophenyl)acetamide
CID 30266174
2-[N-(benzenesulfonyl)-2,3-dimethylanilino]-N-[(3,4-dimethoxyphenyl)methyl]acetamide
CID 92676343
N-benzyl-2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-fluoroanilino)acetamide
CID 1317063
N-[(3-ethoxyphenyl)methyl]-2-(2-fluoro-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 30306995
N-benzhydryl-2-(N-(3,4-dimethoxyphenyl)sulfonyl-2-fluoroanilino)acetamide
CID 43900869
2-[N-(benzenesulfonyl)-3-methylanilino]-N-[(3,4-dimethoxyphenyl)methyl]acetamide
CID 26565937

Frequently Asked Questions

What is the IUPAC name of 2-(N-(3,4-dimethoxyphenyl)sulfonyl-2-fluoroanilino)-N-[(3-methylphenyl)methyl]acetamide?
The IUPAC name of 2-(N-(3,4-dimethoxyphenyl)sulfonyl-2-fluoroanilino)-N-[(3-methylphenyl)methyl]acetamide (CID 30272961) is 2-(N-(3,4-dimethoxyphenyl)sulfonyl-2-fluoroanilino)-N-[(3-methylphenyl)methyl]acetamide.
What is the SMILES notation for 2-(N-(3,4-dimethoxyphenyl)sulfonyl-2-fluoroanilino)-N-[(3-methylphenyl)methyl]acetamide?
The canonical SMILES for 2-(N-(3,4-dimethoxyphenyl)sulfonyl-2-fluoroanilino)-N-[(3-methylphenyl)methyl]acetamide is COc1ccc(S(=O)(=O)N(CC(=O)NCc2cccc(C)c2)c2ccccc2F)cc1OC.
What is the InChIKey of 2-(N-(3,4-dimethoxyphenyl)sulfonyl-2-fluoroanilino)-N-[(3-methylphenyl)methyl]acetamide?
The InChIKey is XADLZEPITXEDCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN2O5S/c1-17-7-6-8-18(13-17)15-26-24(28)16-27(21-10-5-4-9-20(21)25)33(29,30)19-11-12-22(31-2)23(14-19)32-3/h4-14H,15-16H2,1-3H3,(H,26,28).
What are the key properties of 2-(N-(3,4-dimethoxyphenyl)sulfonyl-2-fluoroanilino)-N-[(3-methylphenyl)methyl]acetamide?
2-(N-(3,4-dimethoxyphenyl)sulfonyl-2-fluoroanilino)-N-[(3-methylphenyl)methyl]acetamide has a molecular weight of 472.54 g/mol, XLogP of 3.66, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-(3,4-dimethoxyphenyl)sulfonyl-2-fluoroanilino)-N-[(3-methylphenyl)methyl]acetamide is sourced from PubChem (CID 30272961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).