N-(3,4-difluorophenyl)-3-[methylsulfonyl(pyridin-4-ylmethyl)amino]propanamide

C16H17F2N3O3S — CID 113140138

IUPACN-(3,4-difluorophenyl)-3-[methylsulfonyl(pyridin-4-ylmethyl)amino]propanamide
SMILESCS(=O)(=O)N(CCC(=O)Nc1ccc(F)c(F)c1)Cc1ccncc1
InChIInChI=1S/C16H17F2N3O3S/c1-25(23,24)21(11-12-4-7-19-8-5-12)9-6-16(22)20-13-2-3-14(17)15(18)10-13/h2-5,7-8,10H,6,9,11H2,1H3,(H,20,22)
InChIKeyBQSYWCXZHXUIPP-UHFFFAOYSA-N
MW369.39 g/mol
LogP2.15
Rot. Bonds7

About N-(3,4-difluorophenyl)-3-[methylsulfonyl(pyridin-4-ylmethyl)amino]propanamide

N-(3,4-difluorophenyl)-3-[methylsulfonyl(pyridin-4-ylmethyl)amino]propanamide (PubChem CID 113140138) has the molecular formula C16H17F2N3O3S and a molecular weight of 369.39 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-3-[methylsulfonyl(pyridin-4-ylmethyl)amino]propanamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-3-[methylsulfonyl(pyridin-4-ylmethyl)amino]propanamide
PubChem CID113140138
Molecular FormulaC16H17F2N3O3S
Molecular Weight369.39 g/mol
Exact Mass369.10
IUPAC NameN-(3,4-difluorophenyl)-3-[methylsulfonyl(pyridin-4-ylmethyl)amino]propanamide
SMILESCS(=O)(=O)N(CCC(=O)Nc1ccc(F)c(F)c1)Cc1ccncc1
InChIInChI=1S/C16H17F2N3O3S/c1-25(23,24)21(11-12-4-7-19-8-5-12)9-6-16(22)20-13-2-3-14(17)15(18)10-13/h2-5,7-8,10H,6,9,11H2,1H3,(H,20,22)
InChIKeyBQSYWCXZHXUIPP-UHFFFAOYSA-N
XLogP2.15
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.39
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[methylsulfonyl(pyridin-4-ylmethyl)amino]-N-phenylpropanamide
CID 113140070
N-(3,4-difluorophenyl)-3-[2-(dimethylamino)ethyl-methylsulfonylamino]propanamide
CID 113138231
N-(4-cyanophenyl)-3-[methylsulfonyl(pyridin-4-ylmethyl)amino]propanamide
CID 113140134
3-[benzyl(methylsulfonyl)amino]-N-(4-fluorophenyl)propanamide
CID 113138694
N-[(4-chlorophenyl)methyl]-3-[methylsulfonyl(pyridin-4-ylmethyl)amino]propanamide
CID 113140036
N-(3-fluorophenyl)-3-[(4-fluorophenyl)methyl-methylsulfonylamino]propanamide
CID 113139382
2-[acetyl(pyridin-4-ylmethyl)amino]-N-(3,4-difluorophenyl)acetamide
CID 113163940
N-(2,5-dimethoxyphenyl)-3-[methylsulfonyl(pyridin-4-ylmethyl)amino]propanamide
CID 113140115
3-[benzyl(propan-2-yl)amino]-N-(3,4-difluorophenyl)propanamide
CID 109031875
N-(3,4-difluorophenyl)-3-(2,4,6-trimethyl-N-methylsulfonylanilino)propanamide
CID 113143195
N-cyclopentyl-3-[methylsulfonyl(pyridin-4-ylmethyl)amino]propanamide
CID 113140010
N-(4-chlorophenyl)-3-[(3-methylphenyl)methyl-methylsulfonylamino]propanamide
CID 113138932

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-3-[methylsulfonyl(pyridin-4-ylmethyl)amino]propanamide?
The IUPAC name of N-(3,4-difluorophenyl)-3-[methylsulfonyl(pyridin-4-ylmethyl)amino]propanamide (CID 113140138) is N-(3,4-difluorophenyl)-3-[methylsulfonyl(pyridin-4-ylmethyl)amino]propanamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-3-[methylsulfonyl(pyridin-4-ylmethyl)amino]propanamide?
The canonical SMILES for N-(3,4-difluorophenyl)-3-[methylsulfonyl(pyridin-4-ylmethyl)amino]propanamide is CS(=O)(=O)N(CCC(=O)Nc1ccc(F)c(F)c1)Cc1ccncc1.
What is the InChIKey of N-(3,4-difluorophenyl)-3-[methylsulfonyl(pyridin-4-ylmethyl)amino]propanamide?
The InChIKey is BQSYWCXZHXUIPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2N3O3S/c1-25(23,24)21(11-12-4-7-19-8-5-12)9-6-16(22)20-13-2-3-14(17)15(18)10-13/h2-5,7-8,10H,6,9,11H2,1H3,(H,20,22).
What are the key properties of N-(3,4-difluorophenyl)-3-[methylsulfonyl(pyridin-4-ylmethyl)amino]propanamide?
N-(3,4-difluorophenyl)-3-[methylsulfonyl(pyridin-4-ylmethyl)amino]propanamide has a molecular weight of 369.39 g/mol, XLogP of 2.15, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-3-[methylsulfonyl(pyridin-4-ylmethyl)amino]propanamide is sourced from PubChem (CID 113140138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).