N-(5-fluoro-2-methylphenyl)-2-[(2-methylphenyl)methylsulfonyl]propanamide

C18H20FNO3S — CID 86923009

IUPACN-(5-fluoro-2-methylphenyl)-2-[(2-methylphenyl)methylsulfonyl]propanamide
SMILESCc1ccccc1CS(=O)(=O)C(C)C(=O)Nc1cc(F)ccc1C
InChIInChI=1S/C18H20FNO3S/c1-12-6-4-5-7-15(12)11-24(22,23)14(3)18(21)20-17-10-16(19)9-8-13(17)2/h4-10,14H,11H2,1-3H3,(H,20,21)
InChIKeyWNAAMTBFFPISLA-UHFFFAOYSA-N
MW349.43 g/mol
LogP3.38
Rot. Bonds5

About N-(5-fluoro-2-methylphenyl)-2-[(2-methylphenyl)methylsulfonyl]propanamide

N-(5-fluoro-2-methylphenyl)-2-[(2-methylphenyl)methylsulfonyl]propanamide (PubChem CID 86923009) has the molecular formula C18H20FNO3S and a molecular weight of 349.43 g/mol. Its IUPAC name is N-(5-fluoro-2-methylphenyl)-2-[(2-methylphenyl)methylsulfonyl]propanamide.

Molecular Properties

Compound NameN-(5-fluoro-2-methylphenyl)-2-[(2-methylphenyl)methylsulfonyl]propanamide
PubChem CID86923009
Molecular FormulaC18H20FNO3S
Molecular Weight349.43 g/mol
Exact Mass349.11
IUPAC NameN-(5-fluoro-2-methylphenyl)-2-[(2-methylphenyl)methylsulfonyl]propanamide
SMILESCc1ccccc1CS(=O)(=O)C(C)C(=O)Nc1cc(F)ccc1C
InChIInChI=1S/C18H20FNO3S/c1-12-6-4-5-7-15(12)11-24(22,23)14(3)18(21)20-17-10-16(19)9-8-13(17)2/h4-10,14H,11H2,1-3H3,(H,20,21)
InChIKeyWNAAMTBFFPISLA-UHFFFAOYSA-N
XLogP3.38
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(1-benzylimidazol-2-yl)methylsulfonyl]-N-(5-fluoro-2-methylphenyl)propanamide
CID 78877155
3-chloro-N-(5-fluoro-2-methylphenyl)-2-methylpropanamide
CID 62729006
1-(5-fluoro-2-methylphenyl)-3-[(1S)-1-phenylethyl]urea
CID 51944551
N-cyclopentyl-2-[(2-methylphenyl)methylsulfonyl]propanamide
CID 42961400
(2S)-2-amino-N-(5-fluoro-2-methylphenyl)butanamide
CID 79025044
2-(3-aminopropylsulfonyl)-N-(2-methylphenyl)propanamide
CID 82180098
(2S)-2-[(2-chloro-4-fluorophenyl)methylsulfonyl]-N-methylpropanamide
CID 51946888
(2S)-2-(4-fluoro-N-methylsulfonylanilino)-N-(2-methylphenyl)propanamide
CID 124561242
2-fluoro-N-[(2S)-1-(5-fluoro-2-methylanilino)-1-oxopropan-2-yl]benzamide
CID 51604994
(2S)-N-(5-fluoro-2-methylphenyl)-2-(4-fluorophenoxy)propanamide
CID 9097735
2-[(2-chlorophenyl)methylsulfonyl]-N-[(2-methylphenyl)methyl]propanamide
CID 86923050
N'-[1-(5-fluoro-2-methylanilino)-1-oxopropan-2-yl]-N-(2-propan-2-ylphenyl)butanediamide
CID 47000535

Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-2-methylphenyl)-2-[(2-methylphenyl)methylsulfonyl]propanamide?
The IUPAC name of N-(5-fluoro-2-methylphenyl)-2-[(2-methylphenyl)methylsulfonyl]propanamide (CID 86923009) is N-(5-fluoro-2-methylphenyl)-2-[(2-methylphenyl)methylsulfonyl]propanamide.
What is the SMILES notation for N-(5-fluoro-2-methylphenyl)-2-[(2-methylphenyl)methylsulfonyl]propanamide?
The canonical SMILES for N-(5-fluoro-2-methylphenyl)-2-[(2-methylphenyl)methylsulfonyl]propanamide is Cc1ccccc1CS(=O)(=O)C(C)C(=O)Nc1cc(F)ccc1C.
What is the InChIKey of N-(5-fluoro-2-methylphenyl)-2-[(2-methylphenyl)methylsulfonyl]propanamide?
The InChIKey is WNAAMTBFFPISLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO3S/c1-12-6-4-5-7-15(12)11-24(22,23)14(3)18(21)20-17-10-16(19)9-8-13(17)2/h4-10,14H,11H2,1-3H3,(H,20,21).
What are the key properties of N-(5-fluoro-2-methylphenyl)-2-[(2-methylphenyl)methylsulfonyl]propanamide?
N-(5-fluoro-2-methylphenyl)-2-[(2-methylphenyl)methylsulfonyl]propanamide has a molecular weight of 349.43 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-fluoro-2-methylphenyl)-2-[(2-methylphenyl)methylsulfonyl]propanamide is sourced from PubChem (CID 86923009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).