2-(3-fluoro-N-methylsulfonylanilino)-N-[1-(2-methylphenoxy)propan-2-yl]acetamide

C19H23FN2O4S — CID 43897919

IUPAC2-(3-fluoro-N-methylsulfonylanilino)-N-[1-(2-methylphenoxy)propan-2-yl]acetamide
SMILESCc1ccccc1OCC(C)NC(=O)CN(c1cccc(F)c1)S(C)(=O)=O
InChIInChI=1S/C19H23FN2O4S/c1-14-7-4-5-10-18(14)26-13-15(2)21-19(23)12-22(27(3,24)25)17-9-6-8-16(20)11-17/h4-11,15H,12-13H2,1-3H3,(H,21,23)
InChIKeyCSIPLYPPVDFDAU-UHFFFAOYSA-N
MW394.47 g/mol
LogP2.48
Rot. Bonds8

About 2-(3-fluoro-N-methylsulfonylanilino)-N-[1-(2-methylphenoxy)propan-2-yl]acetamide

2-(3-fluoro-N-methylsulfonylanilino)-N-[1-(2-methylphenoxy)propan-2-yl]acetamide (PubChem CID 43897919) has the molecular formula C19H23FN2O4S and a molecular weight of 394.47 g/mol. Its IUPAC name is 2-(3-fluoro-N-methylsulfonylanilino)-N-[1-(2-methylphenoxy)propan-2-yl]acetamide.

Molecular Properties

Compound Name2-(3-fluoro-N-methylsulfonylanilino)-N-[1-(2-methylphenoxy)propan-2-yl]acetamide
PubChem CID43897919
Molecular FormulaC19H23FN2O4S
Molecular Weight394.47 g/mol
Exact Mass394.14
IUPAC Name2-(3-fluoro-N-methylsulfonylanilino)-N-[1-(2-methylphenoxy)propan-2-yl]acetamide
SMILESCc1ccccc1OCC(C)NC(=O)CN(c1cccc(F)c1)S(C)(=O)=O
InChIInChI=1S/C19H23FN2O4S/c1-14-7-4-5-10-18(14)26-13-15(2)21-19(23)12-22(27(3,24)25)17-9-6-8-16(20)11-17/h4-11,15H,12-13H2,1-3H3,(H,21,23)
InChIKeyCSIPLYPPVDFDAU-UHFFFAOYSA-N
XLogP2.48
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.47
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-fluoro-N-methylsulfonylanilino)-N-[1-(2-methylphenoxy)propan-2-yl]acetamide
CID 43895851
2-(3-chloro-N-methylsulfonylanilino)-N-[1-(2-methylphenoxy)propan-2-yl]acetamide
CID 43895429
2-(3,4-difluoro-N-methylsulfonylanilino)-N-[(2R)-1-(2-methylphenoxy)propan-2-yl]acetamide
CID 30253081
2-(3-acetyl-N-methylsulfonylanilino)-N-[1-(2-methylphenoxy)propan-2-yl]acetamide
CID 43898522
2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-[(2R)-1-(2-methylphenoxy)propan-2-yl]acetamide
CID 30223325
2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-[1-(2-methylphenoxy)propan-2-yl]acetamide
CID 43896037
2-(4-ethyl-N-methylsulfonylanilino)-N-[(2R)-1-(2-methylphenoxy)propan-2-yl]acetamide
CID 30242468
N-[1-(2-methylphenoxy)propan-2-yl]-2-(N-methylsulfonyl-4-propan-2-ylanilino)acetamide
CID 43895374
N,N-dimethyl-4-[[2-[1-(2-methylphenoxy)propan-2-ylamino]-2-oxoethyl]-methylsulfonylamino]benzamide
CID 43901345
2-[2,3-dihydro-1,4-benzodioxin-6-yl(methylsulfonyl)amino]-N-[(2R)-1-(2-methylphenoxy)propan-2-yl]acetamide
CID 30252600
2-(4-ethoxy-N-methylsulfonylanilino)-N-[(2R)-1-(2-methylphenoxy)propan-2-yl]acetamide
CID 30220436
2-(2,4-dichloro-N-methylsulfonylanilino)-N-[(2R)-1-(2-methylphenoxy)propan-2-yl]acetamide
CID 30246471

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-N-methylsulfonylanilino)-N-[1-(2-methylphenoxy)propan-2-yl]acetamide?
The IUPAC name of 2-(3-fluoro-N-methylsulfonylanilino)-N-[1-(2-methylphenoxy)propan-2-yl]acetamide (CID 43897919) is 2-(3-fluoro-N-methylsulfonylanilino)-N-[1-(2-methylphenoxy)propan-2-yl]acetamide.
What is the SMILES notation for 2-(3-fluoro-N-methylsulfonylanilino)-N-[1-(2-methylphenoxy)propan-2-yl]acetamide?
The canonical SMILES for 2-(3-fluoro-N-methylsulfonylanilino)-N-[1-(2-methylphenoxy)propan-2-yl]acetamide is Cc1ccccc1OCC(C)NC(=O)CN(c1cccc(F)c1)S(C)(=O)=O.
What is the InChIKey of 2-(3-fluoro-N-methylsulfonylanilino)-N-[1-(2-methylphenoxy)propan-2-yl]acetamide?
The InChIKey is CSIPLYPPVDFDAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2O4S/c1-14-7-4-5-10-18(14)26-13-15(2)21-19(23)12-22(27(3,24)25)17-9-6-8-16(20)11-17/h4-11,15H,12-13H2,1-3H3,(H,21,23).
What are the key properties of 2-(3-fluoro-N-methylsulfonylanilino)-N-[1-(2-methylphenoxy)propan-2-yl]acetamide?
2-(3-fluoro-N-methylsulfonylanilino)-N-[1-(2-methylphenoxy)propan-2-yl]acetamide has a molecular weight of 394.47 g/mol, XLogP of 2.48, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-N-methylsulfonylanilino)-N-[1-(2-methylphenoxy)propan-2-yl]acetamide is sourced from PubChem (CID 43897919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).