N-(2-ethyl-6-methylphenyl)-3-(4-fluoro-N-methylsulfonylanilino)propanamide

C19H23FN2O3S — CID 113143603

IUPACN-(2-ethyl-6-methylphenyl)-3-(4-fluoro-N-methylsulfonylanilino)propanamide
SMILESCCc1cccc(C)c1NC(=O)CCN(c1ccc(F)cc1)S(C)(=O)=O
InChIInChI=1S/C19H23FN2O3S/c1-4-15-7-5-6-14(2)19(15)21-18(23)12-13-22(26(3,24)25)17-10-8-16(20)9-11-17/h5-11H,4,12-13H2,1-3H3,(H,21,23)
InChIKeyPBYAPUJGWRLUNV-UHFFFAOYSA-N
MW378.47 g/mol
LogP3.49
Rot. Bonds7

About N-(2-ethyl-6-methylphenyl)-3-(4-fluoro-N-methylsulfonylanilino)propanamide

N-(2-ethyl-6-methylphenyl)-3-(4-fluoro-N-methylsulfonylanilino)propanamide (PubChem CID 113143603) has the molecular formula C19H23FN2O3S and a molecular weight of 378.47 g/mol. Its IUPAC name is N-(2-ethyl-6-methylphenyl)-3-(4-fluoro-N-methylsulfonylanilino)propanamide.

Molecular Properties

Compound NameN-(2-ethyl-6-methylphenyl)-3-(4-fluoro-N-methylsulfonylanilino)propanamide
PubChem CID113143603
Molecular FormulaC19H23FN2O3S
Molecular Weight378.47 g/mol
Exact Mass378.14
IUPAC NameN-(2-ethyl-6-methylphenyl)-3-(4-fluoro-N-methylsulfonylanilino)propanamide
SMILESCCc1cccc(C)c1NC(=O)CCN(c1ccc(F)cc1)S(C)(=O)=O
InChIInChI=1S/C19H23FN2O3S/c1-4-15-7-5-6-14(2)19(15)21-18(23)12-13-22(26(3,24)25)17-10-8-16(20)9-11-17/h5-11H,4,12-13H2,1-3H3,(H,21,23)
InChIKeyPBYAPUJGWRLUNV-UHFFFAOYSA-N
XLogP3.49
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-ethyl-6-methylphenyl)-2-(4-fluoro-N-methylsulfonylanilino)acetamide
CID 1317140
N-(2,6-diethylphenyl)-2-(4-fluoro-N-methylsulfonylanilino)acetamide
CID 1296238
N-(2-ethyl-6-methylphenyl)-2-(N-(4-fluorophenyl)sulfonyl-4-methylanilino)acetamide
CID 126143039
3-(4-fluoro-N-methylsulfonylanilino)-N-[(2-methylphenyl)methyl]propanamide
CID 113143546
N-(2-ethyl-6-methylphenyl)-3-[(2-fluorophenyl)methyl-methylsulfonylamino]propanamide
CID 113139253
3-(3,5-dimethyl-N-methylsulfonylanilino)-N-(2,6-dimethylphenyl)propanamide
CID 113142405
2-(N-(4-ethoxyphenyl)sulfonyl-4-fluoroanilino)-N-(2-ethyl-6-methylphenyl)acetamide
CID 2228494
N-(4-acetamidophenyl)-3-(4-fluoro-N-methylsulfonylanilino)propanamide
CID 113143636
4-(3,4-dimethyl-N-methylsulfonylanilino)-N-(2,6-dimethylphenyl)butanamide
CID 53280848
3-(4-fluoro-N-methylsulfonylanilino)-N-propylpropanamide
CID 113143520
N-(2-ethyl-6-methylphenyl)-2-(2-ethyl-N-methylsulfonylanilino)acetamide
CID 113154123
N-(2-ethyl-6-methylphenyl)-2-(4-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 126124965

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-6-methylphenyl)-3-(4-fluoro-N-methylsulfonylanilino)propanamide?
The IUPAC name of N-(2-ethyl-6-methylphenyl)-3-(4-fluoro-N-methylsulfonylanilino)propanamide (CID 113143603) is N-(2-ethyl-6-methylphenyl)-3-(4-fluoro-N-methylsulfonylanilino)propanamide.
What is the SMILES notation for N-(2-ethyl-6-methylphenyl)-3-(4-fluoro-N-methylsulfonylanilino)propanamide?
The canonical SMILES for N-(2-ethyl-6-methylphenyl)-3-(4-fluoro-N-methylsulfonylanilino)propanamide is CCc1cccc(C)c1NC(=O)CCN(c1ccc(F)cc1)S(C)(=O)=O.
What is the InChIKey of N-(2-ethyl-6-methylphenyl)-3-(4-fluoro-N-methylsulfonylanilino)propanamide?
The InChIKey is PBYAPUJGWRLUNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2O3S/c1-4-15-7-5-6-14(2)19(15)21-18(23)12-13-22(26(3,24)25)17-10-8-16(20)9-11-17/h5-11H,4,12-13H2,1-3H3,(H,21,23).
What are the key properties of N-(2-ethyl-6-methylphenyl)-3-(4-fluoro-N-methylsulfonylanilino)propanamide?
N-(2-ethyl-6-methylphenyl)-3-(4-fluoro-N-methylsulfonylanilino)propanamide has a molecular weight of 378.47 g/mol, XLogP of 3.49, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-6-methylphenyl)-3-(4-fluoro-N-methylsulfonylanilino)propanamide is sourced from PubChem (CID 113143603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).