3-(4-fluoro-N-methylsulfonylanilino)-N-[(2-methylphenyl)methyl]propanamide

C18H21FN2O3S — CID 113143546

IUPAC3-(4-fluoro-N-methylsulfonylanilino)-N-[(2-methylphenyl)methyl]propanamide
SMILESCc1ccccc1CNC(=O)CCN(c1ccc(F)cc1)S(C)(=O)=O
InChIInChI=1S/C18H21FN2O3S/c1-14-5-3-4-6-15(14)13-20-18(22)11-12-21(25(2,23)24)17-9-7-16(19)8-10-17/h3-10H,11-13H2,1-2H3,(H,20,22)
InChIKeyJHJHCQSLEHQHDU-UHFFFAOYSA-N
MW364.44 g/mol
LogP2.61
Rot. Bonds7

About 3-(4-fluoro-N-methylsulfonylanilino)-N-[(2-methylphenyl)methyl]propanamide

3-(4-fluoro-N-methylsulfonylanilino)-N-[(2-methylphenyl)methyl]propanamide (PubChem CID 113143546) has the molecular formula C18H21FN2O3S and a molecular weight of 364.44 g/mol. Its IUPAC name is 3-(4-fluoro-N-methylsulfonylanilino)-N-[(2-methylphenyl)methyl]propanamide.

Molecular Properties

Compound Name3-(4-fluoro-N-methylsulfonylanilino)-N-[(2-methylphenyl)methyl]propanamide
PubChem CID113143546
Molecular FormulaC18H21FN2O3S
Molecular Weight364.44 g/mol
Exact Mass364.13
IUPAC Name3-(4-fluoro-N-methylsulfonylanilino)-N-[(2-methylphenyl)methyl]propanamide
SMILESCc1ccccc1CNC(=O)CCN(c1ccc(F)cc1)S(C)(=O)=O
InChIInChI=1S/C18H21FN2O3S/c1-14-5-3-4-6-15(14)13-20-18(22)11-12-21(25(2,23)24)17-9-7-16(19)8-10-17/h3-10H,11-13H2,1-2H3,(H,20,22)
InChIKeyJHJHCQSLEHQHDU-UHFFFAOYSA-N
XLogP2.61
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.44
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(4-fluorophenyl)methyl-methylsulfonylamino]-N-[(2-methylphenyl)methyl]propanamide
CID 113139312
2-(4-fluoro-N-(4-fluorophenyl)sulfonylanilino)-N-[(2-methylphenyl)methyl]acetamide
CID 30263745
N-(2-ethyl-6-methylphenyl)-3-(4-fluoro-N-methylsulfonylanilino)propanamide
CID 113143603
3-(2,6-dimethyl-N-methylsulfonylanilino)-N-[(2-fluorophenyl)methyl]propanamide
CID 113142476
N-benzyl-4-(4-fluoro-N-methylsulfonylanilino)butanamide
CID 21368306
3-(4-fluoro-N-methylsulfonylanilino)-N-propylpropanamide
CID 113143520
3-(2-ethyl-6-methyl-N-methylsulfonylanilino)-N-[(2-fluorophenyl)methyl]propanamide
CID 113142916
3-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-[(2-methylphenyl)methyl]propanamide
CID 113144052
3-(3-fluoro-N-methylsulfonylanilino)-N-[(2-methoxyphenyl)methyl]propanamide
CID 113145922
2-(4-fluoro-N-(4-methoxyphenyl)sulfonylanilino)-N-[(2-methylphenyl)methyl]acetamide
CID 2231836
3-(4-cyano-N-methylsulfonylanilino)-N-[(4-fluorophenyl)methyl]propanamide
CID 113146962
3-(2-fluoro-N-methylsulfonylanilino)-N-[(2-fluorophenyl)methyl]propanamide
CID 113143416

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluoro-N-methylsulfonylanilino)-N-[(2-methylphenyl)methyl]propanamide?
The IUPAC name of 3-(4-fluoro-N-methylsulfonylanilino)-N-[(2-methylphenyl)methyl]propanamide (CID 113143546) is 3-(4-fluoro-N-methylsulfonylanilino)-N-[(2-methylphenyl)methyl]propanamide.
What is the SMILES notation for 3-(4-fluoro-N-methylsulfonylanilino)-N-[(2-methylphenyl)methyl]propanamide?
The canonical SMILES for 3-(4-fluoro-N-methylsulfonylanilino)-N-[(2-methylphenyl)methyl]propanamide is Cc1ccccc1CNC(=O)CCN(c1ccc(F)cc1)S(C)(=O)=O.
What is the InChIKey of 3-(4-fluoro-N-methylsulfonylanilino)-N-[(2-methylphenyl)methyl]propanamide?
The InChIKey is JHJHCQSLEHQHDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O3S/c1-14-5-3-4-6-15(14)13-20-18(22)11-12-21(25(2,23)24)17-9-7-16(19)8-10-17/h3-10H,11-13H2,1-2H3,(H,20,22).
What are the key properties of 3-(4-fluoro-N-methylsulfonylanilino)-N-[(2-methylphenyl)methyl]propanamide?
3-(4-fluoro-N-methylsulfonylanilino)-N-[(2-methylphenyl)methyl]propanamide has a molecular weight of 364.44 g/mol, XLogP of 2.61, 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-[(2-methylphenyl)methyl]propanamide is sourced from PubChem (CID 113143546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).