N-(2-fluorophenyl)-2-(N-methylsulfonyl-4-propan-2-yloxyanilino)acetamide

C18H21FN2O4S — CID 30264709

IUPACN-(2-fluorophenyl)-2-(N-methylsulfonyl-4-propan-2-yloxyanilino)acetamide
SMILESCC(C)Oc1ccc(N(CC(=O)Nc2ccccc2F)S(C)(=O)=O)cc1
InChIInChI=1S/C18H21FN2O4S/c1-13(2)25-15-10-8-14(9-11-15)21(26(3,23)24)12-18(22)20-17-7-5-4-6-16(17)19/h4-11,13H,12H2,1-3H3,(H,20,22)
InChIKeyFPSXQRGYTLECNY-UHFFFAOYSA-N
MW380.44 g/mol
LogP3.02
Rot. Bonds7

About N-(2-fluorophenyl)-2-(N-methylsulfonyl-4-propan-2-yloxyanilino)acetamide

N-(2-fluorophenyl)-2-(N-methylsulfonyl-4-propan-2-yloxyanilino)acetamide (PubChem CID 30264709) has the molecular formula C18H21FN2O4S and a molecular weight of 380.44 g/mol. Its IUPAC name is N-(2-fluorophenyl)-2-(N-methylsulfonyl-4-propan-2-yloxyanilino)acetamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-2-(N-methylsulfonyl-4-propan-2-yloxyanilino)acetamide
PubChem CID30264709
Molecular FormulaC18H21FN2O4S
Molecular Weight380.44 g/mol
Exact Mass380.12
IUPAC NameN-(2-fluorophenyl)-2-(N-methylsulfonyl-4-propan-2-yloxyanilino)acetamide
SMILESCC(C)Oc1ccc(N(CC(=O)Nc2ccccc2F)S(C)(=O)=O)cc1
InChIInChI=1S/C18H21FN2O4S/c1-13(2)25-15-10-8-14(9-11-15)21(26(3,23)24)12-18(22)20-17-7-5-4-6-16(17)19/h4-11,13H,12H2,1-3H3,(H,20,22)
InChIKeyFPSXQRGYTLECNY-UHFFFAOYSA-N
XLogP3.02
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.44
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-butyl-2-[[2-(N-methylsulfonyl-4-propan-2-yloxyanilino)acetyl]amino]benzamide
CID 30271280
2-(N-methylsulfonyl-4-propan-2-yloxyanilino)-N-naphthalen-2-ylacetamide
CID 30259566
2-(N-methylsulfonyl-4-propan-2-yloxyanilino)-N-[2-(morpholine-4-carbonyl)phenyl]acetamide
CID 30271328
2-(N-methylsulfonyl-4-propan-2-yloxyanilino)-N-[(1R)-1-phenylethyl]acetamide
CID 30257105
2-(3,4-dichloro-N-methylsulfonylanilino)-N-(2-fluorophenyl)acetamide
CID 2290634
2-(2,6-difluoro-N-methylsulfonylanilino)-N-(2-fluorophenyl)acetamide
CID 113157644
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(N-methylsulfonyl-4-propan-2-yloxyanilino)acetamide
CID 30268924
N-(3-methylbutan-2-yl)-2-(N-methylsulfonyl-4-propan-2-yloxyanilino)acetamide
CID 133249920
N-(4-ethoxyphenyl)-2-(N-methylsulfonyl-4-propan-2-yloxyanilino)acetamide
CID 30260152
2-(3-ethoxy-N-methylsulfonylanilino)-N-(2-fluorophenyl)acetamide
CID 30264702
N-[(1R)-1-(4-fluorophenyl)ethyl]-2-(N-methylsulfonyl-4-propan-2-yloxyanilino)acetamide
CID 30274560
2-(N-methylsulfonyl-4-propan-2-yloxyanilino)-N-(3-phenylpropyl)acetamide
CID 30271513

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-2-(N-methylsulfonyl-4-propan-2-yloxyanilino)acetamide?
The IUPAC name of N-(2-fluorophenyl)-2-(N-methylsulfonyl-4-propan-2-yloxyanilino)acetamide (CID 30264709) is N-(2-fluorophenyl)-2-(N-methylsulfonyl-4-propan-2-yloxyanilino)acetamide.
What is the SMILES notation for N-(2-fluorophenyl)-2-(N-methylsulfonyl-4-propan-2-yloxyanilino)acetamide?
The canonical SMILES for N-(2-fluorophenyl)-2-(N-methylsulfonyl-4-propan-2-yloxyanilino)acetamide is CC(C)Oc1ccc(N(CC(=O)Nc2ccccc2F)S(C)(=O)=O)cc1.
What is the InChIKey of N-(2-fluorophenyl)-2-(N-methylsulfonyl-4-propan-2-yloxyanilino)acetamide?
The InChIKey is FPSXQRGYTLECNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O4S/c1-13(2)25-15-10-8-14(9-11-15)21(26(3,23)24)12-18(22)20-17-7-5-4-6-16(17)19/h4-11,13H,12H2,1-3H3,(H,20,22).
What are the key properties of N-(2-fluorophenyl)-2-(N-methylsulfonyl-4-propan-2-yloxyanilino)acetamide?
N-(2-fluorophenyl)-2-(N-methylsulfonyl-4-propan-2-yloxyanilino)acetamide has a molecular weight of 380.44 g/mol, XLogP of 3.02, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-2-(N-methylsulfonyl-4-propan-2-yloxyanilino)acetamide is sourced from PubChem (CID 30264709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).