2-[[4-fluoro-3-(trifluoromethyl)phenyl]sulfonyl-propylamino]-N-(2-methoxyphenyl)acetamide

C19H20F4N2O4S — CID 52746584

IUPAC2-[[4-fluoro-3-(trifluoromethyl)phenyl]sulfonyl-propylamino]-N-(2-methoxyphenyl)acetamide
SMILESCCCN(CC(=O)Nc1ccccc1OC)S(=O)(=O)c1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C19H20F4N2O4S/c1-3-10-25(12-18(26)24-16-6-4-5-7-17(16)29-2)30(27,28)13-8-9-15(20)14(11-13)19(21,22)23/h4-9,11H,3,10,12H2,1-2H3,(H,24,26)
InChIKeyKRCZOIJSVWZBSH-UHFFFAOYSA-N
MW448.44 g/mol
LogP3.89
Rot. Bonds8

About 2-[[4-fluoro-3-(trifluoromethyl)phenyl]sulfonyl-propylamino]-N-(2-methoxyphenyl)acetamide

2-[[4-fluoro-3-(trifluoromethyl)phenyl]sulfonyl-propylamino]-N-(2-methoxyphenyl)acetamide (PubChem CID 52746584) has the molecular formula C19H20F4N2O4S and a molecular weight of 448.44 g/mol. Its IUPAC name is 2-[[4-fluoro-3-(trifluoromethyl)phenyl]sulfonyl-propylamino]-N-(2-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[[4-fluoro-3-(trifluoromethyl)phenyl]sulfonyl-propylamino]-N-(2-methoxyphenyl)acetamide
PubChem CID52746584
Molecular FormulaC19H20F4N2O4S
Molecular Weight448.44 g/mol
Exact Mass448.11
IUPAC Name2-[[4-fluoro-3-(trifluoromethyl)phenyl]sulfonyl-propylamino]-N-(2-methoxyphenyl)acetamide
SMILESCCCN(CC(=O)Nc1ccccc1OC)S(=O)(=O)c1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C19H20F4N2O4S/c1-3-10-25(12-18(26)24-16-6-4-5-7-17(16)29-2)30(27,28)13-8-9-15(20)14(11-13)19(21,22)23/h4-9,11H,3,10,12H2,1-2H3,(H,24,26)
InChIKeyKRCZOIJSVWZBSH-UHFFFAOYSA-N
XLogP3.89
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.44
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3,4-dimethoxyphenyl)sulfonyl-propylamino]-N-(2-methoxyphenyl)acetamide
CID 40682573
2-[(3-bromo-4-methoxyphenyl)sulfonyl-propylamino]-N-(2-methoxyphenyl)acetamide
CID 30329804
N-(2-methylphenyl)-2-[propyl-[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide
CID 24678170
2-[(3-chlorophenyl)sulfonyl-propylamino]-N-(2-phenoxyphenyl)acetamide
CID 2095155
N-(2,5-difluorophenyl)-2-[(3,4-dimethoxyphenyl)sulfonyl-(2-phenylethyl)amino]acetamide
CID 28544285
2-[(4-ethoxy-3-methylphenyl)sulfonyl-ethylamino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 37496925
2-[3,4-dihydronaphthalen-2-ylsulfonyl(propyl)amino]-N-(2-methoxyphenyl)acetamide
CID 18190586
2-[[4-fluoro-3-(trifluoromethyl)phenyl]sulfonyl-(2-methoxyethyl)amino]acetamide
CID 47090036
2-[(2,5-difluorophenyl)sulfonyl-propylamino]-N-(2-methylphenyl)acetamide
CID 40746083
2-[ethyl(naphthalen-2-ylsulfonyl)amino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 2980569
2-(N-(4-chlorophenyl)sulfonyl-2-ethoxyanilino)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 3319169
N-(2-methoxyphenyl)-2-[(8-methylquinolin-5-yl)sulfonyl-propylamino]acetamide
CID 46634659

Frequently Asked Questions

What is the IUPAC name of 2-[[4-fluoro-3-(trifluoromethyl)phenyl]sulfonyl-propylamino]-N-(2-methoxyphenyl)acetamide?
The IUPAC name of 2-[[4-fluoro-3-(trifluoromethyl)phenyl]sulfonyl-propylamino]-N-(2-methoxyphenyl)acetamide (CID 52746584) is 2-[[4-fluoro-3-(trifluoromethyl)phenyl]sulfonyl-propylamino]-N-(2-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[[4-fluoro-3-(trifluoromethyl)phenyl]sulfonyl-propylamino]-N-(2-methoxyphenyl)acetamide?
The canonical SMILES for 2-[[4-fluoro-3-(trifluoromethyl)phenyl]sulfonyl-propylamino]-N-(2-methoxyphenyl)acetamide is CCCN(CC(=O)Nc1ccccc1OC)S(=O)(=O)c1ccc(F)c(C(F)(F)F)c1.
What is the InChIKey of 2-[[4-fluoro-3-(trifluoromethyl)phenyl]sulfonyl-propylamino]-N-(2-methoxyphenyl)acetamide?
The InChIKey is KRCZOIJSVWZBSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F4N2O4S/c1-3-10-25(12-18(26)24-16-6-4-5-7-17(16)29-2)30(27,28)13-8-9-15(20)14(11-13)19(21,22)23/h4-9,11H,3,10,12H2,1-2H3,(H,24,26).
What are the key properties of 2-[[4-fluoro-3-(trifluoromethyl)phenyl]sulfonyl-propylamino]-N-(2-methoxyphenyl)acetamide?
2-[[4-fluoro-3-(trifluoromethyl)phenyl]sulfonyl-propylamino]-N-(2-methoxyphenyl)acetamide has a molecular weight of 448.44 g/mol, XLogP of 3.89, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-fluoro-3-(trifluoromethyl)phenyl]sulfonyl-propylamino]-N-(2-methoxyphenyl)acetamide is sourced from PubChem (CID 52746584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).