2-[2-[(2,6-difluorophenyl)methyl]-N-(3,4-dimethoxyphenyl)sulfonyl-6-methoxyanilino]-N-ethylacetamide

C26H28F2N2O6S — CID 58941419

IUPAC2-[2-[(2,6-difluorophenyl)methyl]-N-(3,4-dimethoxyphenyl)sulfonyl-6-methoxyanilino]-N-ethylacetamide
SMILESCCNC(=O)CN(c1c(Cc2c(F)cccc2F)cccc1OC)S(=O)(=O)c1ccc(OC)c(OC)c1
InChIInChI=1S/C26H28F2N2O6S/c1-5-29-25(31)16-30(37(32,33)18-12-13-22(34-2)24(15-18)36-4)26-17(8-6-11-23(26)35-3)14-19-20(27)9-7-10-21(19)28/h6-13,15H,5,14,16H2,1-4H3,(H,29,31)
InChIKeyIPERWNNUFVJSPO-UHFFFAOYSA-N
MW534.58 g/mol
LogP3.91
Rot. Bonds11

About 2-[2-[(2,6-difluorophenyl)methyl]-N-(3,4-dimethoxyphenyl)sulfonyl-6-methoxyanilino]-N-ethylacetamide

2-[2-[(2,6-difluorophenyl)methyl]-N-(3,4-dimethoxyphenyl)sulfonyl-6-methoxyanilino]-N-ethylacetamide (PubChem CID 58941419) has the molecular formula C26H28F2N2O6S and a molecular weight of 534.58 g/mol. Its IUPAC name is 2-[2-[(2,6-difluorophenyl)methyl]-N-(3,4-dimethoxyphenyl)sulfonyl-6-methoxyanilino]-N-ethylacetamide.

Molecular Properties

Compound Name2-[2-[(2,6-difluorophenyl)methyl]-N-(3,4-dimethoxyphenyl)sulfonyl-6-methoxyanilino]-N-ethylacetamide
PubChem CID58941419
Molecular FormulaC26H28F2N2O6S
Molecular Weight534.58 g/mol
Exact Mass534.16
IUPAC Name2-[2-[(2,6-difluorophenyl)methyl]-N-(3,4-dimethoxyphenyl)sulfonyl-6-methoxyanilino]-N-ethylacetamide
SMILESCCNC(=O)CN(c1c(Cc2c(F)cccc2F)cccc1OC)S(=O)(=O)c1ccc(OC)c(OC)c1
InChIInChI=1S/C26H28F2N2O6S/c1-5-29-25(31)16-30(37(32,33)18-12-13-22(34-2)24(15-18)36-4)26-17(8-6-11-23(26)35-3)14-19-20(27)9-7-10-21(19)28/h6-13,15H,5,14,16H2,1-4H3,(H,29,31)
InChIKeyIPERWNNUFVJSPO-UHFFFAOYSA-N
XLogP3.91
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500534.58
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-[2-[(2,6-difluorophenyl)methyl]-N-(3,4-dimethoxyphenyl)sulfonyl-6-methoxyanilino]acetate
CID 68566353
2-[2-[(2,6-difluorophenyl)methyl]-N-(3,4-dimethoxyphenyl)sulfonyl-6-methylanilino]acetamide
CID 58941274
2-[4-chloro-2-[(2,3-difluorophenyl)-hydroxymethyl]-N-(3,4-dimethoxyphenyl)sulfonylanilino]-N-ethylacetamide
CID 58941417
2-[4-bromo-2-[(2,6-difluorophenyl)methyl]-N-(3,4-dimethoxyphenyl)sulfonylanilino]acetamide
CID 58941432
2-(N-(3,4-dimethoxyphenyl)sulfonyl-2-fluoroanilino)-N-[(3-methylphenyl)methyl]acetamide
CID 30272961
2-(N-(3,4-dimethoxyphenyl)sulfonyl-3,5-dimethylanilino)-N-[(2-methoxyphenyl)methyl]acetamide
CID 1337281
N-benzyl-2-(N-(3,4-dimethoxyphenyl)sulfonyl-2-fluoroanilino)acetamide
CID 30256831
2-(N-(3,4-dimethoxyphenyl)sulfonyl-2-fluoroanilino)-N-[3-(4-methylphenyl)propyl]acetamide
CID 30271537
2-(5-chloro-N-(3,4-dimethoxyphenyl)sulfonyl-2-methoxyanilino)-N-[3-[(2-fluorophenyl)methylsulfanyl]propyl]acetamide
CID 43896531
N-benzyl-2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-fluoroanilino)acetamide
CID 1317063
2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-fluoroanilino)-N-(3-methylbutyl)acetamide
CID 126277699
N-[4-chloro-2-[(2,6-difluorophenyl)methyl]phenyl]-N-[2-(methanesulfonamido)ethyl]-3,4-dimethoxybenzenesulfonamide
CID 58941195

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2,6-difluorophenyl)methyl]-N-(3,4-dimethoxyphenyl)sulfonyl-6-methoxyanilino]-N-ethylacetamide?
The IUPAC name of 2-[2-[(2,6-difluorophenyl)methyl]-N-(3,4-dimethoxyphenyl)sulfonyl-6-methoxyanilino]-N-ethylacetamide (CID 58941419) is 2-[2-[(2,6-difluorophenyl)methyl]-N-(3,4-dimethoxyphenyl)sulfonyl-6-methoxyanilino]-N-ethylacetamide.
What is the SMILES notation for 2-[2-[(2,6-difluorophenyl)methyl]-N-(3,4-dimethoxyphenyl)sulfonyl-6-methoxyanilino]-N-ethylacetamide?
The canonical SMILES for 2-[2-[(2,6-difluorophenyl)methyl]-N-(3,4-dimethoxyphenyl)sulfonyl-6-methoxyanilino]-N-ethylacetamide is CCNC(=O)CN(c1c(Cc2c(F)cccc2F)cccc1OC)S(=O)(=O)c1ccc(OC)c(OC)c1.
What is the InChIKey of 2-[2-[(2,6-difluorophenyl)methyl]-N-(3,4-dimethoxyphenyl)sulfonyl-6-methoxyanilino]-N-ethylacetamide?
The InChIKey is IPERWNNUFVJSPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28F2N2O6S/c1-5-29-25(31)16-30(37(32,33)18-12-13-22(34-2)24(15-18)36-4)26-17(8-6-11-23(26)35-3)14-19-20(27)9-7-10-21(19)28/h6-13,15H,5,14,16H2,1-4H3,(H,29,31).
What are the key properties of 2-[2-[(2,6-difluorophenyl)methyl]-N-(3,4-dimethoxyphenyl)sulfonyl-6-methoxyanilino]-N-ethylacetamide?
2-[2-[(2,6-difluorophenyl)methyl]-N-(3,4-dimethoxyphenyl)sulfonyl-6-methoxyanilino]-N-ethylacetamide has a molecular weight of 534.58 g/mol, XLogP of 3.91, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2,6-difluorophenyl)methyl]-N-(3,4-dimethoxyphenyl)sulfonyl-6-methoxyanilino]-N-ethylacetamide is sourced from PubChem (CID 58941419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).