N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2-fluoro-N-(4-methoxyphenyl)sulfonylanilino)acetamide

C25H27FN2O6S — CID 30264278

IUPACN-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2-fluoro-N-(4-methoxyphenyl)sulfonylanilino)acetamide
SMILESCOc1ccc(S(=O)(=O)N(CC(=O)NCCc2ccc(OC)c(OC)c2)c2ccccc2F)cc1
InChIInChI=1S/C25H27FN2O6S/c1-32-19-9-11-20(12-10-19)35(30,31)28(22-7-5-4-6-21(22)26)17-25(29)27-15-14-18-8-13-23(33-2)24(16-18)34-3/h4-13,16H,14-15,17H2,1-3H3,(H,27,29)
InChIKeyUXURXOBFJUEAGI-UHFFFAOYSA-N
MW502.56 g/mol
LogP3.41
Rot. Bonds11

About N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2-fluoro-N-(4-methoxyphenyl)sulfonylanilino)acetamide

N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2-fluoro-N-(4-methoxyphenyl)sulfonylanilino)acetamide (PubChem CID 30264278) has the molecular formula C25H27FN2O6S and a molecular weight of 502.56 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2-fluoro-N-(4-methoxyphenyl)sulfonylanilino)acetamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2-fluoro-N-(4-methoxyphenyl)sulfonylanilino)acetamide
PubChem CID30264278
Molecular FormulaC25H27FN2O6S
Molecular Weight502.56 g/mol
Exact Mass502.16
IUPAC NameN-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2-fluoro-N-(4-methoxyphenyl)sulfonylanilino)acetamide
SMILESCOc1ccc(S(=O)(=O)N(CC(=O)NCCc2ccc(OC)c(OC)c2)c2ccccc2F)cc1
InChIInChI=1S/C25H27FN2O6S/c1-32-19-9-11-20(12-10-19)35(30,31)28(22-7-5-4-6-21(22)26)17-25(29)27-15-14-18-8-13-23(33-2)24(16-18)34-3/h4-13,16H,14-15,17H2,1-3H3,(H,27,29)
InChIKeyUXURXOBFJUEAGI-UHFFFAOYSA-N
XLogP3.41
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.56
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(N-(4-chlorophenyl)sulfonyl-2-methylanilino)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 126412284
2-(N-(4-chlorophenyl)sulfonyl-2-methoxyanilino)-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 2695403
2-(N-(3,4-dimethoxyphenyl)sulfonyl-2-fluoroanilino)-N-[3-(4-ethoxyphenyl)propyl]acetamide
CID 30301649
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[[2-(N-(3,4-dimethoxyphenyl)sulfonyl-2-fluoroanilino)acetyl]amino]benzamide
CID 43900741
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(N-(4-methoxyphenyl)sulfonyl-4-methylanilino)acetamide
CID 2289360
2-(N-(3,4-dimethoxyphenyl)sulfonyl-2-fluoroanilino)-N-[3-(4-methylphenyl)propyl]acetamide
CID 30271537
N-[3-(dimethylamino)propyl]-2-(2-fluoro-N-(4-methoxyphenyl)sulfonylanilino)acetamide
CID 30271846
2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 2894039
2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 126182772
N-benzyl-2-(N-(3,4-dimethoxyphenyl)sulfonyl-2-fluoroanilino)acetamide
CID 30256831
2-(2,5-dimethoxy-N-(4-methylphenyl)sulfonylanilino)-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 51344354
N-[(3,4-diethoxyphenyl)methyl]-2-(N-(3,4-dimethoxyphenyl)sulfonyl-2-fluoroanilino)acetamide
CID 43901024

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2-fluoro-N-(4-methoxyphenyl)sulfonylanilino)acetamide?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2-fluoro-N-(4-methoxyphenyl)sulfonylanilino)acetamide (CID 30264278) is N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2-fluoro-N-(4-methoxyphenyl)sulfonylanilino)acetamide.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2-fluoro-N-(4-methoxyphenyl)sulfonylanilino)acetamide?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2-fluoro-N-(4-methoxyphenyl)sulfonylanilino)acetamide is COc1ccc(S(=O)(=O)N(CC(=O)NCCc2ccc(OC)c(OC)c2)c2ccccc2F)cc1.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2-fluoro-N-(4-methoxyphenyl)sulfonylanilino)acetamide?
The InChIKey is UXURXOBFJUEAGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27FN2O6S/c1-32-19-9-11-20(12-10-19)35(30,31)28(22-7-5-4-6-21(22)26)17-25(29)27-15-14-18-8-13-23(33-2)24(16-18)34-3/h4-13,16H,14-15,17H2,1-3H3,(H,27,29).
What are the key properties of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2-fluoro-N-(4-methoxyphenyl)sulfonylanilino)acetamide?
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2-fluoro-N-(4-methoxyphenyl)sulfonylanilino)acetamide has a molecular weight of 502.56 g/mol, XLogP of 3.41, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2-fluoro-N-(4-methoxyphenyl)sulfonylanilino)acetamide is sourced from PubChem (CID 30264278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).