2-[ethyl-(5-fluoro-2-methoxyphenyl)sulfonylamino]-N-[(2-fluorophenyl)methyl]-N-methylacetamide

C19H22F2N2O4S — CID 100798288

IUPAC2-[ethyl-(5-fluoro-2-methoxyphenyl)sulfonylamino]-N-[(2-fluorophenyl)methyl]-N-methylacetamide
SMILESCCN(CC(=O)N(C)Cc1ccccc1F)S(=O)(=O)c1cc(F)ccc1OC
InChIInChI=1S/C19H22F2N2O4S/c1-4-23(28(25,26)18-11-15(20)9-10-17(18)27-3)13-19(24)22(2)12-14-7-5-6-8-16(14)21/h5-11H,4,12-13H2,1-3H3
InChIKeyISZIMZXIZHOYKO-UHFFFAOYSA-N
MW412.46 g/mol
LogP2.64
Rot. Bonds8

About 2-[ethyl-(5-fluoro-2-methoxyphenyl)sulfonylamino]-N-[(2-fluorophenyl)methyl]-N-methylacetamide

2-[ethyl-(5-fluoro-2-methoxyphenyl)sulfonylamino]-N-[(2-fluorophenyl)methyl]-N-methylacetamide (PubChem CID 100798288) has the molecular formula C19H22F2N2O4S and a molecular weight of 412.46 g/mol. Its IUPAC name is 2-[ethyl-(5-fluoro-2-methoxyphenyl)sulfonylamino]-N-[(2-fluorophenyl)methyl]-N-methylacetamide.

Molecular Properties

Compound Name2-[ethyl-(5-fluoro-2-methoxyphenyl)sulfonylamino]-N-[(2-fluorophenyl)methyl]-N-methylacetamide
PubChem CID100798288
Molecular FormulaC19H22F2N2O4S
Molecular Weight412.46 g/mol
Exact Mass412.13
IUPAC Name2-[ethyl-(5-fluoro-2-methoxyphenyl)sulfonylamino]-N-[(2-fluorophenyl)methyl]-N-methylacetamide
SMILESCCN(CC(=O)N(C)Cc1ccccc1F)S(=O)(=O)c1cc(F)ccc1OC
InChIInChI=1S/C19H22F2N2O4S/c1-4-23(28(25,26)18-11-15(20)9-10-17(18)27-3)13-19(24)22(2)12-14-7-5-6-8-16(14)21/h5-11H,4,12-13H2,1-3H3
InChIKeyISZIMZXIZHOYKO-UHFFFAOYSA-N
XLogP2.64
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.46
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[ethyl-(5-fluoro-2-methoxyphenyl)sulfonylamino]-N-[(1S)-1-(2-methoxyphenyl)ethyl]acetamide
CID 28549089
2-(3-chloro-N-(2-methoxy-5-methylphenyl)sulfonyl-4-methylanilino)-N-[(2-fluorophenyl)methyl]-N-methylacetamide
CID 100797053
3-amino-N-[(5-fluoro-2-methoxyphenyl)methyl]-N-methylpropanamide
CID 94687738
2-[benzyl-(2,5-dimethylphenyl)sulfonylamino]-N-[(2-fluorophenyl)methyl]-N-methylacetamide
CID 100781673
2-(3-fluoro-N-methylsulfonylanilino)-N-[(2-methoxyphenyl)methyl]-N-methylacetamide
CID 46770513
N-[(2,4-difluorophenyl)methyl]-2-(2-fluorophenyl)-N-methylacetamide
CID 134046604
2-[(3-fluorophenyl)methyl-methylamino]-N-[(2-methoxyphenyl)methyl]-N-methylacetamide
CID 86908474
N-[(5-fluoro-2-methoxyphenyl)methyl]-2-hydroxy-N-methylacetamide
CID 82128249
3-[benzyl(ethyl)sulfamoyl]-N-(2,4-difluorophenyl)-4-methoxybenzamide
CID 2678829
methyl 2-[ethyl-(2-fluorophenyl)sulfonylamino]acetate
CID 61384024
N-[(2-fluorophenyl)methyl]-2-[(3-fluorophenyl)methyl-methylamino]-N-methylacetamide
CID 86908480
N-[(2-fluorophenyl)methyl]-N-methyl-2-[(4-methylphenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide
CID 100795048

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-(5-fluoro-2-methoxyphenyl)sulfonylamino]-N-[(2-fluorophenyl)methyl]-N-methylacetamide?
The IUPAC name of 2-[ethyl-(5-fluoro-2-methoxyphenyl)sulfonylamino]-N-[(2-fluorophenyl)methyl]-N-methylacetamide (CID 100798288) is 2-[ethyl-(5-fluoro-2-methoxyphenyl)sulfonylamino]-N-[(2-fluorophenyl)methyl]-N-methylacetamide.
What is the SMILES notation for 2-[ethyl-(5-fluoro-2-methoxyphenyl)sulfonylamino]-N-[(2-fluorophenyl)methyl]-N-methylacetamide?
The canonical SMILES for 2-[ethyl-(5-fluoro-2-methoxyphenyl)sulfonylamino]-N-[(2-fluorophenyl)methyl]-N-methylacetamide is CCN(CC(=O)N(C)Cc1ccccc1F)S(=O)(=O)c1cc(F)ccc1OC.
What is the InChIKey of 2-[ethyl-(5-fluoro-2-methoxyphenyl)sulfonylamino]-N-[(2-fluorophenyl)methyl]-N-methylacetamide?
The InChIKey is ISZIMZXIZHOYKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F2N2O4S/c1-4-23(28(25,26)18-11-15(20)9-10-17(18)27-3)13-19(24)22(2)12-14-7-5-6-8-16(14)21/h5-11H,4,12-13H2,1-3H3.
What are the key properties of 2-[ethyl-(5-fluoro-2-methoxyphenyl)sulfonylamino]-N-[(2-fluorophenyl)methyl]-N-methylacetamide?
2-[ethyl-(5-fluoro-2-methoxyphenyl)sulfonylamino]-N-[(2-fluorophenyl)methyl]-N-methylacetamide has a molecular weight of 412.46 g/mol, XLogP of 2.64, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-(5-fluoro-2-methoxyphenyl)sulfonylamino]-N-[(2-fluorophenyl)methyl]-N-methylacetamide is sourced from PubChem (CID 100798288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).