2-(4-fluoro-N-methylsulfonylanilino)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide

C19H23FN2O6S — CID 30221910

IUPAC2-(4-fluoro-N-methylsulfonylanilino)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
SMILESCOc1cc(CNC(=O)CN(c2ccc(F)cc2)S(C)(=O)=O)cc(OC)c1OC
InChIInChI=1S/C19H23FN2O6S/c1-26-16-9-13(10-17(27-2)19(16)28-3)11-21-18(23)12-22(29(4,24)25)15-7-5-14(20)6-8-15/h5-10H,11-12H2,1-4H3,(H,21,23)
InChIKeyMBLHBFGSNAYBIN-UHFFFAOYSA-N
MW426.47 g/mol
LogP1.93
Rot. Bonds9

About 2-(4-fluoro-N-methylsulfonylanilino)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide

2-(4-fluoro-N-methylsulfonylanilino)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide (PubChem CID 30221910) has the molecular formula C19H23FN2O6S and a molecular weight of 426.47 g/mol. Its IUPAC name is 2-(4-fluoro-N-methylsulfonylanilino)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(4-fluoro-N-methylsulfonylanilino)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
PubChem CID30221910
Molecular FormulaC19H23FN2O6S
Molecular Weight426.47 g/mol
Exact Mass426.13
IUPAC Name2-(4-fluoro-N-methylsulfonylanilino)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
SMILESCOc1cc(CNC(=O)CN(c2ccc(F)cc2)S(C)(=O)=O)cc(OC)c1OC
InChIInChI=1S/C19H23FN2O6S/c1-26-16-9-13(10-17(27-2)19(16)28-3)11-21-18(23)12-22(29(4,24)25)15-7-5-14(20)6-8-15/h5-10H,11-12H2,1-4H3,(H,21,23)
InChIKeyMBLHBFGSNAYBIN-UHFFFAOYSA-N
XLogP1.93
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.47
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-methoxy-N-methylsulfonylanilino)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
CID 30220187
2-(4-fluoro-N-thiophen-2-ylsulfonylanilino)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
CID 30277815
2-(N-ethyl-4-fluoroanilino)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
CID 55446177
2-[N-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-fluoroanilino]-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
CID 43898329
N-[(3,4-dimethoxyphenyl)methyl]-2-(4-ethyl-N-methylsulfonylanilino)acetamide
CID 43908101
N-benzyl-2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-fluoroanilino)acetamide
CID 1317063
2-(3,4-difluoro-N-methylsulfonylanilino)-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]acetamide
CID 30252864
N-(2,5-dimethoxyphenyl)-2-(4-fluoro-N-methylsulfonylanilino)acetamide
CID 3139067
N-[(2-methoxyphenyl)methyl]-2-(N-methylsulfonylanilino)acetamide
CID 2898932
N-(2-methylpropyl)-2-(3,4,5-trimethoxy-N-methylsulfonylanilino)acetamide
CID 113156834
2-(N-ethyl-3-fluoroanilino)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
CID 60516756
N-[(4-fluorophenyl)methyl]-2-(3-methyl-N-methylsulfonylanilino)acetamide
CID 28635475

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-N-methylsulfonylanilino)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide?
The IUPAC name of 2-(4-fluoro-N-methylsulfonylanilino)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide (CID 30221910) is 2-(4-fluoro-N-methylsulfonylanilino)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-(4-fluoro-N-methylsulfonylanilino)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-(4-fluoro-N-methylsulfonylanilino)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide is COc1cc(CNC(=O)CN(c2ccc(F)cc2)S(C)(=O)=O)cc(OC)c1OC.
What is the InChIKey of 2-(4-fluoro-N-methylsulfonylanilino)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide?
The InChIKey is MBLHBFGSNAYBIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2O6S/c1-26-16-9-13(10-17(27-2)19(16)28-3)11-21-18(23)12-22(29(4,24)25)15-7-5-14(20)6-8-15/h5-10H,11-12H2,1-4H3,(H,21,23).
What are the key properties of 2-(4-fluoro-N-methylsulfonylanilino)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide?
2-(4-fluoro-N-methylsulfonylanilino)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide has a molecular weight of 426.47 g/mol, XLogP of 1.93, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-N-methylsulfonylanilino)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide is sourced from PubChem (CID 30221910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).