N-(2-ethyl-6-methylphenyl)-3-[(2-fluorophenyl)methyl-methylsulfonylamino]propanamide

C20H25FN2O3S — CID 113139253

IUPACN-(2-ethyl-6-methylphenyl)-3-[(2-fluorophenyl)methyl-methylsulfonylamino]propanamide
SMILESCCc1cccc(C)c1NC(=O)CCN(Cc1ccccc1F)S(C)(=O)=O
InChIInChI=1S/C20H25FN2O3S/c1-4-16-10-7-8-15(2)20(16)22-19(24)12-13-23(27(3,25)26)14-17-9-5-6-11-18(17)21/h5-11H,4,12-14H2,1-3H3,(H,22,24)
InChIKeyHOEYXSZXEQXKBB-UHFFFAOYSA-N
MW392.50 g/mol
LogP3.49
Rot. Bonds8

About N-(2-ethyl-6-methylphenyl)-3-[(2-fluorophenyl)methyl-methylsulfonylamino]propanamide

N-(2-ethyl-6-methylphenyl)-3-[(2-fluorophenyl)methyl-methylsulfonylamino]propanamide (PubChem CID 113139253) has the molecular formula C20H25FN2O3S and a molecular weight of 392.50 g/mol. Its IUPAC name is N-(2-ethyl-6-methylphenyl)-3-[(2-fluorophenyl)methyl-methylsulfonylamino]propanamide.

Molecular Properties

Compound NameN-(2-ethyl-6-methylphenyl)-3-[(2-fluorophenyl)methyl-methylsulfonylamino]propanamide
PubChem CID113139253
Molecular FormulaC20H25FN2O3S
Molecular Weight392.50 g/mol
Exact Mass392.16
IUPAC NameN-(2-ethyl-6-methylphenyl)-3-[(2-fluorophenyl)methyl-methylsulfonylamino]propanamide
SMILESCCc1cccc(C)c1NC(=O)CCN(Cc1ccccc1F)S(C)(=O)=O
InChIInChI=1S/C20H25FN2O3S/c1-4-16-10-7-8-15(2)20(16)22-19(24)12-13-23(27(3,25)26)14-17-9-5-6-11-18(17)21/h5-11H,4,12-14H2,1-3H3,(H,22,24)
InChIKeyHOEYXSZXEQXKBB-UHFFFAOYSA-N
XLogP3.49
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,5-dimethylphenyl)-3-[(2-fluorophenyl)methyl-methylsulfonylamino]propanamide
CID 113139245
N-(2,6-dimethylphenyl)-3-[(2-methoxyphenyl)methyl-methylsulfonylamino]propanamide
CID 113139586
N-[(2-fluorophenyl)methyl]-3-[(2-methylphenyl)methyl-methylsulfonylamino]propanamide
CID 113138770
N-(2-ethyl-6-methylphenyl)-3-(4-fluoro-N-methylsulfonylanilino)propanamide
CID 113143603
2-[acetyl-[(2-fluorophenyl)methyl]amino]-N-(2-ethyl-6-methylphenyl)acetamide
CID 113162235
N-(2-methylphenyl)-3-[(2-methylphenyl)methyl-methylsulfonylamino]propanamide
CID 113138799
N-(2-ethyl-6-methylphenyl)-2-[(2-fluorophenyl)methyl-methylamino]acetamide;oxalic acid
CID 15945235
3-[2-(dimethylamino)ethyl-methylsulfonylamino]-N-(2,6-dimethylphenyl)propanamide
CID 113138157
N-(3-methylphenyl)-3-[(2-methylphenyl)methyl-methylsulfonylamino]propanamide
CID 113138800
N-(2-ethyl-6-methylphenyl)-2-[methylsulfonyl(3-phenylpropyl)amino]acetamide
CID 113152755
2-[acetyl-[2-(2-fluorophenyl)ethyl]amino]-N-(2-ethyl-6-methylphenyl)acetamide
CID 113164231
N'-(2-ethyl-6-methylphenyl)-N-[(2-fluorophenyl)methyl]propanediamide
CID 108946276

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-6-methylphenyl)-3-[(2-fluorophenyl)methyl-methylsulfonylamino]propanamide?
The IUPAC name of N-(2-ethyl-6-methylphenyl)-3-[(2-fluorophenyl)methyl-methylsulfonylamino]propanamide (CID 113139253) is N-(2-ethyl-6-methylphenyl)-3-[(2-fluorophenyl)methyl-methylsulfonylamino]propanamide.
What is the SMILES notation for N-(2-ethyl-6-methylphenyl)-3-[(2-fluorophenyl)methyl-methylsulfonylamino]propanamide?
The canonical SMILES for N-(2-ethyl-6-methylphenyl)-3-[(2-fluorophenyl)methyl-methylsulfonylamino]propanamide is CCc1cccc(C)c1NC(=O)CCN(Cc1ccccc1F)S(C)(=O)=O.
What is the InChIKey of N-(2-ethyl-6-methylphenyl)-3-[(2-fluorophenyl)methyl-methylsulfonylamino]propanamide?
The InChIKey is HOEYXSZXEQXKBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN2O3S/c1-4-16-10-7-8-15(2)20(16)22-19(24)12-13-23(27(3,25)26)14-17-9-5-6-11-18(17)21/h5-11H,4,12-14H2,1-3H3,(H,22,24).
What are the key properties of N-(2-ethyl-6-methylphenyl)-3-[(2-fluorophenyl)methyl-methylsulfonylamino]propanamide?
N-(2-ethyl-6-methylphenyl)-3-[(2-fluorophenyl)methyl-methylsulfonylamino]propanamide has a molecular weight of 392.50 g/mol, XLogP of 3.49, 8 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-[(2-fluorophenyl)methyl-methylsulfonylamino]propanamide is sourced from PubChem (CID 113139253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).