N-(4-pyrrolidin-1-ylsulfonylphenyl)-2-[3-(trifluoromethyl)phenoxy]acetamide

C19H19F3N2O4S — CID 1245459

IUPACN-(4-pyrrolidin-1-ylsulfonylphenyl)-2-[3-(trifluoromethyl)phenoxy]acetamide
SMILESO=C(COc1cccc(C(F)(F)F)c1)Nc1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C19H19F3N2O4S/c20-19(21,22)14-4-3-5-16(12-14)28-13-18(25)23-15-6-8-17(9-7-15)29(26,27)24-10-1-2-11-24/h3-9,12H,1-2,10-11,13H2,(H,23,25)
InChIKeyMLPKUNNYQXKLQV-UHFFFAOYSA-N
MW428.43 g/mol
LogP3.51
Rot. Bonds6

About N-(4-pyrrolidin-1-ylsulfonylphenyl)-2-[3-(trifluoromethyl)phenoxy]acetamide

N-(4-pyrrolidin-1-ylsulfonylphenyl)-2-[3-(trifluoromethyl)phenoxy]acetamide (PubChem CID 1245459) has the molecular formula C19H19F3N2O4S and a molecular weight of 428.43 g/mol. Its IUPAC name is N-(4-pyrrolidin-1-ylsulfonylphenyl)-2-[3-(trifluoromethyl)phenoxy]acetamide.

Molecular Properties

Compound NameN-(4-pyrrolidin-1-ylsulfonylphenyl)-2-[3-(trifluoromethyl)phenoxy]acetamide
PubChem CID1245459
Molecular FormulaC19H19F3N2O4S
Molecular Weight428.43 g/mol
Exact Mass428.10
IUPAC NameN-(4-pyrrolidin-1-ylsulfonylphenyl)-2-[3-(trifluoromethyl)phenoxy]acetamide
SMILESO=C(COc1cccc(C(F)(F)F)c1)Nc1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C19H19F3N2O4S/c20-19(21,22)14-4-3-5-16(12-14)28-13-18(25)23-15-6-8-17(9-7-15)29(26,27)24-10-1-2-11-24/h3-9,12H,1-2,10-11,13H2,(H,23,25)
InChIKeyMLPKUNNYQXKLQV-UHFFFAOYSA-N
XLogP3.51
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.43
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(aminosulfonyl)phenyl]-2-(4-ethoxyphenoxy)acetamide
CID 1193007
2-(2-cyanophenoxy)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 2087429
N-[4-[methyl-[4-[2-(3-methylphenoxy)ethoxy]phenyl]sulfamoyl]phenyl]acetamide
CID 2535092
N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-2-(4-methylphenoxy)acetamide
CID 3647605
2-(4-cyanophenoxy)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 4668478
4-(2-oxopyrrolidin-1-yl)-N-(2-phenoxyethyl)benzenesulfonamide
CID 1811239
N-[2-(3,4-dimethylphenoxy)ethyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 2174334
2-(3-methylphenoxy)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 1144627
N-(4-(Aminosulfonyl)phenyl)-2-(4-fluorophenoxy)acetamide
CID 716578
N-(2-fluorophenyl)-2-(4-morpholin-4-ylsulfonylphenoxy)acetamide
CID 6457540
2-(4-Methoxy-phenoxy)-N-[4-(morpholine-4-sulfonyl)-phenyl]-acetamide
CID 646975
2-Phenoxy-N-{4-[(tetrahydro-furan-2-ylmethyl)-sulfamoyl]-phenyl}-butyramide
CID 651178

Frequently Asked Questions

What is the IUPAC name of N-(4-pyrrolidin-1-ylsulfonylphenyl)-2-[3-(trifluoromethyl)phenoxy]acetamide?
The IUPAC name of N-(4-pyrrolidin-1-ylsulfonylphenyl)-2-[3-(trifluoromethyl)phenoxy]acetamide (CID 1245459) is N-(4-pyrrolidin-1-ylsulfonylphenyl)-2-[3-(trifluoromethyl)phenoxy]acetamide.
What is the SMILES notation for N-(4-pyrrolidin-1-ylsulfonylphenyl)-2-[3-(trifluoromethyl)phenoxy]acetamide?
The canonical SMILES for N-(4-pyrrolidin-1-ylsulfonylphenyl)-2-[3-(trifluoromethyl)phenoxy]acetamide is O=C(COc1cccc(C(F)(F)F)c1)Nc1ccc(S(=O)(=O)N2CCCC2)cc1.
What is the InChIKey of N-(4-pyrrolidin-1-ylsulfonylphenyl)-2-[3-(trifluoromethyl)phenoxy]acetamide?
The InChIKey is MLPKUNNYQXKLQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N2O4S/c20-19(21,22)14-4-3-5-16(12-14)28-13-18(25)23-15-6-8-17(9-7-15)29(26,27)24-10-1-2-11-24/h3-9,12H,1-2,10-11,13H2,(H,23,25).
What are the key properties of N-(4-pyrrolidin-1-ylsulfonylphenyl)-2-[3-(trifluoromethyl)phenoxy]acetamide?
N-(4-pyrrolidin-1-ylsulfonylphenyl)-2-[3-(trifluoromethyl)phenoxy]acetamide has a molecular weight of 428.43 g/mol, XLogP of 3.51, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-pyrrolidin-1-ylsulfonylphenyl)-2-[3-(trifluoromethyl)phenoxy]acetamide is sourced from PubChem (CID 1245459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).