3-(4-fluoro-N-methylsulfonylanilino)-N-propylpropanamide

C13H19FN2O3S — CID 113143520

IUPAC3-(4-fluoro-N-methylsulfonylanilino)-N-propylpropanamide
SMILESCCCNC(=O)CCN(c1ccc(F)cc1)S(C)(=O)=O
InChIInChI=1S/C13H19FN2O3S/c1-3-9-15-13(17)8-10-16(20(2,18)19)12-6-4-11(14)5-7-12/h4-7H,3,8-10H2,1-2H3,(H,15,17)
InChIKeyVYWSWKOAUHQYQZ-UHFFFAOYSA-N
MW302.37 g/mol
LogP1.51
Rot. Bonds7

About 3-(4-fluoro-N-methylsulfonylanilino)-N-propylpropanamide

3-(4-fluoro-N-methylsulfonylanilino)-N-propylpropanamide (PubChem CID 113143520) has the molecular formula C13H19FN2O3S and a molecular weight of 302.37 g/mol. Its IUPAC name is 3-(4-fluoro-N-methylsulfonylanilino)-N-propylpropanamide.

Molecular Properties

Compound Name3-(4-fluoro-N-methylsulfonylanilino)-N-propylpropanamide
PubChem CID113143520
Molecular FormulaC13H19FN2O3S
Molecular Weight302.37 g/mol
Exact Mass302.11
IUPAC Name3-(4-fluoro-N-methylsulfonylanilino)-N-propylpropanamide
SMILESCCCNC(=O)CCN(c1ccc(F)cc1)S(C)(=O)=O
InChIInChI=1S/C13H19FN2O3S/c1-3-9-15-13(17)8-10-16(20(2,18)19)12-6-4-11(14)5-7-12/h4-7H,3,8-10H2,1-2H3,(H,15,17)
InChIKeyVYWSWKOAUHQYQZ-UHFFFAOYSA-N
XLogP1.51
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-ethyl-N-methylsulfonylanilino)-N-propylpropanamide
CID 113142775
N-butyl-3-(4-methyl-N-methylsulfonylanilino)propanamide
CID 113141870
4-(4-fluoro-N-methylsulfonylanilino)-N-(2-methoxyethyl)butanamide
CID 21367556
3-(4-fluoro-N-methylsulfonylanilino)-N-[(2-methylphenyl)methyl]propanamide
CID 113143546
3-[N-methylsulfonyl-4-(trifluoromethyl)anilino]-N-pentylpropanamide
CID 113145291
N-(4-acetamidophenyl)-3-(4-fluoro-N-methylsulfonylanilino)propanamide
CID 113143636
3-(3-bromo-N-methylsulfonylanilino)-N-propylpropanamide
CID 113146042
N-butyl-3-(4-methoxy-N-methylsulfonylanilino)propanamide
CID 113144672
3-(4-acetyl-N-methylsulfonylanilino)-N-pentylpropanamide
CID 113145417
3-(3,5-dimethyl-N-methylsulfonylanilino)-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 113142379
3-[4-(4-methylpiperidin-1-yl)-N-methylsulfonylanilino]-N-propylpropanamide
CID 113145831
3-(4-acetamido-N-methylsulfonylanilino)-N-pentylpropanamide
CID 113145529

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluoro-N-methylsulfonylanilino)-N-propylpropanamide?
The IUPAC name of 3-(4-fluoro-N-methylsulfonylanilino)-N-propylpropanamide (CID 113143520) is 3-(4-fluoro-N-methylsulfonylanilino)-N-propylpropanamide.
What is the SMILES notation for 3-(4-fluoro-N-methylsulfonylanilino)-N-propylpropanamide?
The canonical SMILES for 3-(4-fluoro-N-methylsulfonylanilino)-N-propylpropanamide is CCCNC(=O)CCN(c1ccc(F)cc1)S(C)(=O)=O.
What is the InChIKey of 3-(4-fluoro-N-methylsulfonylanilino)-N-propylpropanamide?
The InChIKey is VYWSWKOAUHQYQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O3S/c1-3-9-15-13(17)8-10-16(20(2,18)19)12-6-4-11(14)5-7-12/h4-7H,3,8-10H2,1-2H3,(H,15,17).
What are the key properties of 3-(4-fluoro-N-methylsulfonylanilino)-N-propylpropanamide?
3-(4-fluoro-N-methylsulfonylanilino)-N-propylpropanamide has a molecular weight of 302.37 g/mol, XLogP of 1.51, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluoro-N-methylsulfonylanilino)-N-propylpropanamide is sourced from PubChem (CID 113143520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).