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

C19H23FN2O3S — CID 113138770

IUPACN-[(2-fluorophenyl)methyl]-3-[(2-methylphenyl)methyl-methylsulfonylamino]propanamide
SMILESCc1ccccc1CN(CCC(=O)NCc1ccccc1F)S(C)(=O)=O
InChIInChI=1S/C19H23FN2O3S/c1-15-7-3-4-9-17(15)14-22(26(2,24)25)12-11-19(23)21-13-16-8-5-6-10-18(16)20/h3-10H,11-14H2,1-2H3,(H,21,23)
InChIKeyYDAHGFAQXJABEB-UHFFFAOYSA-N
MW378.47 g/mol
LogP2.60
Rot. Bonds8

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

N-[(2-fluorophenyl)methyl]-3-[(2-methylphenyl)methyl-methylsulfonylamino]propanamide (PubChem CID 113138770) has the molecular formula C19H23FN2O3S and a molecular weight of 378.47 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-3-[(2-methylphenyl)methyl-methylsulfonylamino]propanamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-3-[(2-methylphenyl)methyl-methylsulfonylamino]propanamide
PubChem CID113138770
Molecular FormulaC19H23FN2O3S
Molecular Weight378.47 g/mol
Exact Mass378.14
IUPAC NameN-[(2-fluorophenyl)methyl]-3-[(2-methylphenyl)methyl-methylsulfonylamino]propanamide
SMILESCc1ccccc1CN(CCC(=O)NCc1ccccc1F)S(C)(=O)=O
InChIInChI=1S/C19H23FN2O3S/c1-15-7-3-4-9-17(15)14-22(26(2,24)25)12-11-19(23)21-13-16-8-5-6-10-18(16)20/h3-10H,11-14H2,1-2H3,(H,21,23)
InChIKeyYDAHGFAQXJABEB-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

3-[(4-fluorophenyl)methyl-methylsulfonylamino]-N-[(2-methylphenyl)methyl]propanamide
CID 113139312
3-(2,6-dimethyl-N-methylsulfonylanilino)-N-[(2-fluorophenyl)methyl]propanamide
CID 113142476
3-(2-ethyl-6-methyl-N-methylsulfonylanilino)-N-[(2-fluorophenyl)methyl]propanamide
CID 113142916
N-(2-ethyl-6-methylphenyl)-3-[(2-fluorophenyl)methyl-methylsulfonylamino]propanamide
CID 113139253
N-(2-methylphenyl)-3-[(2-methylphenyl)methyl-methylsulfonylamino]propanamide
CID 113138799
3-(2-fluoro-N-methylsulfonylanilino)-N-[(2-fluorophenyl)methyl]propanamide
CID 113143416
N-[2-(2-fluorophenyl)ethyl]-2-[(2-methylphenyl)methyl-methylsulfonylamino]acetamide
CID 113150529
N-cyclopropyl-3-[(2-methylphenyl)methyl-methylsulfonylamino]propanamide
CID 113138741
N-(2,5-dimethylphenyl)-3-[(2-fluorophenyl)methyl-methylsulfonylamino]propanamide
CID 113139245
N-[2-[(2-methylphenyl)methyl-methylsulfonylamino]ethyl]-3-phenylpropanamide
CID 113066647
3-[2-(2-fluorophenyl)ethyl-methylsulfonylamino]-N-[(4-fluorophenyl)methyl]propanamide
CID 113140274
3-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-[(2-fluorophenyl)methyl]propanamide
CID 113144057

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-3-[(2-methylphenyl)methyl-methylsulfonylamino]propanamide?
The IUPAC name of N-[(2-fluorophenyl)methyl]-3-[(2-methylphenyl)methyl-methylsulfonylamino]propanamide (CID 113138770) is N-[(2-fluorophenyl)methyl]-3-[(2-methylphenyl)methyl-methylsulfonylamino]propanamide.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-3-[(2-methylphenyl)methyl-methylsulfonylamino]propanamide?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-3-[(2-methylphenyl)methyl-methylsulfonylamino]propanamide is Cc1ccccc1CN(CCC(=O)NCc1ccccc1F)S(C)(=O)=O.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-3-[(2-methylphenyl)methyl-methylsulfonylamino]propanamide?
The InChIKey is YDAHGFAQXJABEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2O3S/c1-15-7-3-4-9-17(15)14-22(26(2,24)25)12-11-19(23)21-13-16-8-5-6-10-18(16)20/h3-10H,11-14H2,1-2H3,(H,21,23).
What are the key properties of N-[(2-fluorophenyl)methyl]-3-[(2-methylphenyl)methyl-methylsulfonylamino]propanamide?
N-[(2-fluorophenyl)methyl]-3-[(2-methylphenyl)methyl-methylsulfonylamino]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 N-[(2-fluorophenyl)methyl]-3-[(2-methylphenyl)methyl-methylsulfonylamino]propanamide is sourced from PubChem (CID 113138770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).