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

C17H18F2N2O3S — CID 113139382

IUPACN-(3-fluorophenyl)-3-[(4-fluorophenyl)methyl-methylsulfonylamino]propanamide
SMILESCS(=O)(=O)N(CCC(=O)Nc1cccc(F)c1)Cc1ccc(F)cc1
InChIInChI=1S/C17H18F2N2O3S/c1-25(23,24)21(12-13-5-7-14(18)8-6-13)10-9-17(22)20-16-4-2-3-15(19)11-16/h2-8,11H,9-10,12H2,1H3,(H,20,22)
InChIKeyQNOAASGMWTXJTP-UHFFFAOYSA-N
MW368.41 g/mol
LogP2.76
Rot. Bonds7

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

N-(3-fluorophenyl)-3-[(4-fluorophenyl)methyl-methylsulfonylamino]propanamide (PubChem CID 113139382) has the molecular formula C17H18F2N2O3S and a molecular weight of 368.41 g/mol. Its IUPAC name is N-(3-fluorophenyl)-3-[(4-fluorophenyl)methyl-methylsulfonylamino]propanamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-3-[(4-fluorophenyl)methyl-methylsulfonylamino]propanamide
PubChem CID113139382
Molecular FormulaC17H18F2N2O3S
Molecular Weight368.41 g/mol
Exact Mass368.10
IUPAC NameN-(3-fluorophenyl)-3-[(4-fluorophenyl)methyl-methylsulfonylamino]propanamide
SMILESCS(=O)(=O)N(CCC(=O)Nc1cccc(F)c1)Cc1ccc(F)cc1
InChIInChI=1S/C17H18F2N2O3S/c1-25(23,24)21(12-13-5-7-14(18)8-6-13)10-9-17(22)20-16-4-2-3-15(19)11-16/h2-8,11H,9-10,12H2,1H3,(H,20,22)
InChIKeyQNOAASGMWTXJTP-UHFFFAOYSA-N
XLogP2.76
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.41
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[benzyl(methylsulfonyl)amino]-N-(4-fluorophenyl)propanamide
CID 113138694
3-[3-(dimethylamino)propyl-methylsulfonylamino]-N-(3-fluorophenyl)propanamide
CID 113138423
N-(3-fluorophenyl)-3-[2-methylpropyl(methylsulfonyl)amino]propanamide
CID 113136966
3-[2-(3-chlorophenyl)ethyl-methylsulfonylamino]-N-(3-fluorophenyl)propanamide
CID 113141412
N-(3-acetylphenyl)-3-[benzyl(methylsulfonyl)amino]propanamide
CID 113138717
N-(3-fluorophenyl)-3-[2-(2-methoxyphenyl)ethyl-methylsulfonylamino]propanamide
CID 113140419
3-[benzyl(methylsulfonyl)amino]-N-(4-ethylphenyl)propanamide
CID 113138683
3-[methylsulfonyl(pyridin-4-ylmethyl)amino]-N-phenylpropanamide
CID 113140070
N-(3-fluorophenyl)-2-[(4-fluorophenyl)methyl-methylamino]acetamide
CID 2714145
N-(3,4-difluorophenyl)-3-[methylsulfonyl(pyridin-4-ylmethyl)amino]propanamide
CID 113140138
2-[butyl(methylsulfonyl)amino]-N-(3-fluorophenyl)acetamide
CID 113148397
N-(1,3-benzodioxol-5-yl)-3-[benzyl(methylsulfonyl)amino]propanamide
CID 113138726

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-3-[(4-fluorophenyl)methyl-methylsulfonylamino]propanamide?
The IUPAC name of N-(3-fluorophenyl)-3-[(4-fluorophenyl)methyl-methylsulfonylamino]propanamide (CID 113139382) is N-(3-fluorophenyl)-3-[(4-fluorophenyl)methyl-methylsulfonylamino]propanamide.
What is the SMILES notation for N-(3-fluorophenyl)-3-[(4-fluorophenyl)methyl-methylsulfonylamino]propanamide?
The canonical SMILES for N-(3-fluorophenyl)-3-[(4-fluorophenyl)methyl-methylsulfonylamino]propanamide is CS(=O)(=O)N(CCC(=O)Nc1cccc(F)c1)Cc1ccc(F)cc1.
What is the InChIKey of N-(3-fluorophenyl)-3-[(4-fluorophenyl)methyl-methylsulfonylamino]propanamide?
The InChIKey is QNOAASGMWTXJTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2N2O3S/c1-25(23,24)21(12-13-5-7-14(18)8-6-13)10-9-17(22)20-16-4-2-3-15(19)11-16/h2-8,11H,9-10,12H2,1H3,(H,20,22).
What are the key properties of N-(3-fluorophenyl)-3-[(4-fluorophenyl)methyl-methylsulfonylamino]propanamide?
N-(3-fluorophenyl)-3-[(4-fluorophenyl)methyl-methylsulfonylamino]propanamide has a molecular weight of 368.41 g/mol, XLogP of 2.76, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-3-[(4-fluorophenyl)methyl-methylsulfonylamino]propanamide is sourced from PubChem (CID 113139382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).