N-(4-acetamidophenyl)-3-(4-fluoro-N-methylsulfonylanilino)propanamide

C18H20FN3O4S — CID 113143636

IUPACN-(4-acetamidophenyl)-3-(4-fluoro-N-methylsulfonylanilino)propanamide
SMILESCC(=O)Nc1ccc(NC(=O)CCN(c2ccc(F)cc2)S(C)(=O)=O)cc1
InChIInChI=1S/C18H20FN3O4S/c1-13(23)20-15-5-7-16(8-6-15)21-18(24)11-12-22(27(2,25)26)17-9-3-14(19)4-10-17/h3-10H,11-12H2,1-2H3,(H,20,23)(H,21,24)
InChIKeyYSNWULJLDWVOPO-UHFFFAOYSA-N
MW393.44 g/mol
LogP2.58
Rot. Bonds7

About N-(4-acetamidophenyl)-3-(4-fluoro-N-methylsulfonylanilino)propanamide

N-(4-acetamidophenyl)-3-(4-fluoro-N-methylsulfonylanilino)propanamide (PubChem CID 113143636) has the molecular formula C18H20FN3O4S and a molecular weight of 393.44 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-3-(4-fluoro-N-methylsulfonylanilino)propanamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-3-(4-fluoro-N-methylsulfonylanilino)propanamide
PubChem CID113143636
Molecular FormulaC18H20FN3O4S
Molecular Weight393.44 g/mol
Exact Mass393.12
IUPAC NameN-(4-acetamidophenyl)-3-(4-fluoro-N-methylsulfonylanilino)propanamide
SMILESCC(=O)Nc1ccc(NC(=O)CCN(c2ccc(F)cc2)S(C)(=O)=O)cc1
InChIInChI=1S/C18H20FN3O4S/c1-13(23)20-15-5-7-16(8-6-15)21-18(24)11-12-22(27(2,25)26)17-9-3-14(19)4-10-17/h3-10H,11-12H2,1-2H3,(H,20,23)(H,21,24)
InChIKeyYSNWULJLDWVOPO-UHFFFAOYSA-N
XLogP2.58
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.44
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chloro-4-fluorophenyl)-3-(4-fluoro-N-methylsulfonylanilino)propanamide
CID 113143620
N-(4-ethoxyphenyl)-4-(4-fluoro-N-methylsulfonylanilino)butanamide
CID 21173441
4-(4-ethoxy-N-methylsulfonylanilino)-N-(4-fluorophenyl)butanamide
CID 53286936
3-(2-fluoro-N-methylsulfonylanilino)-N-(4-fluorophenyl)propanamide
CID 113143477
N-(4-acetylphenyl)-3-(4-methyl-N-methylsulfonylanilino)propanamide
CID 113141984
3-(4-cyano-N-methylsulfonylanilino)-N-(4-cyanophenyl)propanamide
CID 113147041
N-[4-[(4-bromophenyl)sulfamoyl]phenyl]-4-(4-fluoro-N-methylsulfonylanilino)butanamide
CID 21367689
4-(4-fluoro-N-methylsulfonylanilino)-N-(4-pyrrolidin-1-ylsulfonylphenyl)butanamide
CID 21367388
3-(3-cyano-N-methylsulfonylanilino)-N-(4-fluorophenyl)propanamide
CID 113146899
3-(4-acetamido-N-methylsulfonylanilino)-N-pentylpropanamide
CID 113145529
3-(4-fluoro-N-methylsulfonylanilino)-N-propylpropanamide
CID 113143520
4-(4-ethyl-N-methylsulfonylanilino)-N-(4-ethylphenyl)butanamide
CID 53286952

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-3-(4-fluoro-N-methylsulfonylanilino)propanamide?
The IUPAC name of N-(4-acetamidophenyl)-3-(4-fluoro-N-methylsulfonylanilino)propanamide (CID 113143636) is N-(4-acetamidophenyl)-3-(4-fluoro-N-methylsulfonylanilino)propanamide.
What is the SMILES notation for N-(4-acetamidophenyl)-3-(4-fluoro-N-methylsulfonylanilino)propanamide?
The canonical SMILES for N-(4-acetamidophenyl)-3-(4-fluoro-N-methylsulfonylanilino)propanamide is CC(=O)Nc1ccc(NC(=O)CCN(c2ccc(F)cc2)S(C)(=O)=O)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-3-(4-fluoro-N-methylsulfonylanilino)propanamide?
The InChIKey is YSNWULJLDWVOPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3O4S/c1-13(23)20-15-5-7-16(8-6-15)21-18(24)11-12-22(27(2,25)26)17-9-3-14(19)4-10-17/h3-10H,11-12H2,1-2H3,(H,20,23)(H,21,24).
What are the key properties of N-(4-acetamidophenyl)-3-(4-fluoro-N-methylsulfonylanilino)propanamide?
N-(4-acetamidophenyl)-3-(4-fluoro-N-methylsulfonylanilino)propanamide has a molecular weight of 393.44 g/mol, XLogP of 2.58, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-3-(4-fluoro-N-methylsulfonylanilino)propanamide is sourced from PubChem (CID 113143636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).