3-[(4-fluorophenyl)methyl-methylsulfonylamino]-N-[(2-methylphenyl)methyl]propanamide

C19H23FN2O3S — CID 113139312

IUPAC3-[(4-fluorophenyl)methyl-methylsulfonylamino]-N-[(2-methylphenyl)methyl]propanamide
SMILESCc1ccccc1CNC(=O)CCN(Cc1ccc(F)cc1)S(C)(=O)=O
InChIInChI=1S/C19H23FN2O3S/c1-15-5-3-4-6-17(15)13-21-19(23)11-12-22(26(2,24)25)14-16-7-9-18(20)10-8-16/h3-10H,11-14H2,1-2H3,(H,21,23)
InChIKeyJAZSLWSHGMTEEI-UHFFFAOYSA-N
MW378.47 g/mol
LogP2.60
Rot. Bonds8

About 3-[(4-fluorophenyl)methyl-methylsulfonylamino]-N-[(2-methylphenyl)methyl]propanamide

3-[(4-fluorophenyl)methyl-methylsulfonylamino]-N-[(2-methylphenyl)methyl]propanamide (PubChem CID 113139312) has the molecular formula C19H23FN2O3S and a molecular weight of 378.47 g/mol. Its IUPAC name is 3-[(4-fluorophenyl)methyl-methylsulfonylamino]-N-[(2-methylphenyl)methyl]propanamide.

Molecular Properties

Compound Name3-[(4-fluorophenyl)methyl-methylsulfonylamino]-N-[(2-methylphenyl)methyl]propanamide
PubChem CID113139312
Molecular FormulaC19H23FN2O3S
Molecular Weight378.47 g/mol
Exact Mass378.14
IUPAC Name3-[(4-fluorophenyl)methyl-methylsulfonylamino]-N-[(2-methylphenyl)methyl]propanamide
SMILESCc1ccccc1CNC(=O)CCN(Cc1ccc(F)cc1)S(C)(=O)=O
InChIInChI=1S/C19H23FN2O3S/c1-15-5-3-4-6-17(15)13-21-19(23)11-12-22(26(2,24)25)14-16-7-9-18(20)10-8-16/h3-10H,11-14H2,1-2H3,(H,21,23)
InChIKeyJAZSLWSHGMTEEI-UHFFFAOYSA-N
XLogP2.60
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-fluorophenyl)methyl]-3-[(2-methylphenyl)methyl-methylsulfonylamino]propanamide
CID 113138770
3-(4-fluoro-N-methylsulfonylanilino)-N-[(2-methylphenyl)methyl]propanamide
CID 113143546
3-[acetyl-[(4-fluorophenyl)methyl]amino]-N-[(2-methylphenyl)methyl]propanamide
CID 113119260
3-[2-(2-fluorophenyl)ethyl-methylsulfonylamino]-N-[(4-fluorophenyl)methyl]propanamide
CID 113140274
N-[(4-fluorophenyl)methyl]-3-[methylsulfonyl(pyridin-2-ylmethyl)amino]propanamide
CID 113139758
3-[(4-fluorophenyl)methyl-methylsulfonylamino]-N-(3-methylbutyl)propanamide
CID 113139337
2-(2-methylphenyl)-N-[2-[(4-methylphenyl)methyl-methylsulfonylamino]ethyl]acetamide
CID 113066790
3-[benzyl(methylsulfonyl)amino]-N-(4-fluorophenyl)propanamide
CID 113138694
N-[(2-chlorophenyl)methyl]-3-[methylsulfonyl(pyridin-4-ylmethyl)amino]propanamide
CID 113140035
N-(3-fluorophenyl)-3-[(4-fluorophenyl)methyl-methylsulfonylamino]propanamide
CID 113139382
3-[(4-fluorophenyl)methyl-methylsulfonylamino]-N-(oxolan-2-ylmethyl)propanamide
CID 113139302
N-[(4-fluorophenyl)methyl]-3-[(2-methylphenyl)methylsulfonyl]propanamide
CID 4207378

Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorophenyl)methyl-methylsulfonylamino]-N-[(2-methylphenyl)methyl]propanamide?
The IUPAC name of 3-[(4-fluorophenyl)methyl-methylsulfonylamino]-N-[(2-methylphenyl)methyl]propanamide (CID 113139312) is 3-[(4-fluorophenyl)methyl-methylsulfonylamino]-N-[(2-methylphenyl)methyl]propanamide.
What is the SMILES notation for 3-[(4-fluorophenyl)methyl-methylsulfonylamino]-N-[(2-methylphenyl)methyl]propanamide?
The canonical SMILES for 3-[(4-fluorophenyl)methyl-methylsulfonylamino]-N-[(2-methylphenyl)methyl]propanamide is Cc1ccccc1CNC(=O)CCN(Cc1ccc(F)cc1)S(C)(=O)=O.
What is the InChIKey of 3-[(4-fluorophenyl)methyl-methylsulfonylamino]-N-[(2-methylphenyl)methyl]propanamide?
The InChIKey is JAZSLWSHGMTEEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2O3S/c1-15-5-3-4-6-17(15)13-21-19(23)11-12-22(26(2,24)25)14-16-7-9-18(20)10-8-16/h3-10H,11-14H2,1-2H3,(H,21,23).
What are the key properties of 3-[(4-fluorophenyl)methyl-methylsulfonylamino]-N-[(2-methylphenyl)methyl]propanamide?
3-[(4-fluorophenyl)methyl-methylsulfonylamino]-N-[(2-methylphenyl)methyl]propanamide has a molecular weight of 378.47 g/mol, XLogP of 2.60, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluorophenyl)methyl-methylsulfonylamino]-N-[(2-methylphenyl)methyl]propanamide is sourced from PubChem (CID 113139312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).