N-(3,4-difluorophenyl)-3-[methylsulfonyl(1-phenylethyl)amino]propanamide

C18H20F2N2O3S — CID 113139177

IUPACN-(3,4-difluorophenyl)-3-[methylsulfonyl(1-phenylethyl)amino]propanamide
SMILESCC(c1ccccc1)N(CCC(=O)Nc1ccc(F)c(F)c1)S(C)(=O)=O
InChIInChI=1S/C18H20F2N2O3S/c1-13(14-6-4-3-5-7-14)22(26(2,24)25)11-10-18(23)21-15-8-9-16(19)17(20)12-15/h3-9,12-13H,10-11H2,1-2H3,(H,21,23)
InChIKeyRCSRGPFZSDRMGT-UHFFFAOYSA-N
MW382.43 g/mol
LogP3.32
Rot. Bonds7

About N-(3,4-difluorophenyl)-3-[methylsulfonyl(1-phenylethyl)amino]propanamide

N-(3,4-difluorophenyl)-3-[methylsulfonyl(1-phenylethyl)amino]propanamide (PubChem CID 113139177) has the molecular formula C18H20F2N2O3S and a molecular weight of 382.43 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-3-[methylsulfonyl(1-phenylethyl)amino]propanamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-3-[methylsulfonyl(1-phenylethyl)amino]propanamide
PubChem CID113139177
Molecular FormulaC18H20F2N2O3S
Molecular Weight382.43 g/mol
Exact Mass382.12
IUPAC NameN-(3,4-difluorophenyl)-3-[methylsulfonyl(1-phenylethyl)amino]propanamide
SMILESCC(c1ccccc1)N(CCC(=O)Nc1ccc(F)c(F)c1)S(C)(=O)=O
InChIInChI=1S/C18H20F2N2O3S/c1-13(14-6-4-3-5-7-14)22(26(2,24)25)11-10-18(23)21-15-8-9-16(19)17(20)12-15/h3-9,12-13H,10-11H2,1-2H3,(H,21,23)
InChIKeyRCSRGPFZSDRMGT-UHFFFAOYSA-N
XLogP3.32
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.43
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chloro-4-fluorophenyl)-3-[methylsulfonyl(propan-2-yl)amino]propanamide
CID 113136167
N-(2-methylphenyl)-3-[methylsulfonyl(1-phenylethyl)amino]propanamide
CID 113139129
3-[benzyl(propan-2-yl)amino]-N-(3,4-difluorophenyl)propanamide
CID 109031875
N-(3,4-difluorophenyl)-3-[2-(dimethylamino)ethyl-methylsulfonylamino]propanamide
CID 113138231
N-(3,4-difluorophenyl)-4-(2-fluoro-N-methylsulfonylanilino)butanamide
CID 53287732
N-(3,4-difluorophenyl)-3-(2,4,6-trimethyl-N-methylsulfonylanilino)propanamide
CID 113143195
N-(3,4-difluorophenyl)-2-(1-phenylethylamino)acetamide
CID 78289102
(2S)-N-(3,4-difluorophenyl)-2-[methyl(methylsulfonyl)amino]-2-phenylacetamide
CID 125054387
N,N'-bis(3,4-difluorophenyl)butanediamide
CID 896186
N-(3,4-difluorophenyl)-3-[methylsulfonyl(pyridin-4-ylmethyl)amino]propanamide
CID 113140138
3-[methylsulfonyl(propan-2-yl)amino]-N-[3-(trifluoromethyl)phenyl]propanamide
CID 113136185
N-(3,4-difluorophenyl)-4-(2-methoxy-N-methylsulfonylanilino)butanamide
CID 53288261

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-3-[methylsulfonyl(1-phenylethyl)amino]propanamide?
The IUPAC name of N-(3,4-difluorophenyl)-3-[methylsulfonyl(1-phenylethyl)amino]propanamide (CID 113139177) is N-(3,4-difluorophenyl)-3-[methylsulfonyl(1-phenylethyl)amino]propanamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-3-[methylsulfonyl(1-phenylethyl)amino]propanamide?
The canonical SMILES for N-(3,4-difluorophenyl)-3-[methylsulfonyl(1-phenylethyl)amino]propanamide is CC(c1ccccc1)N(CCC(=O)Nc1ccc(F)c(F)c1)S(C)(=O)=O.
What is the InChIKey of N-(3,4-difluorophenyl)-3-[methylsulfonyl(1-phenylethyl)amino]propanamide?
The InChIKey is RCSRGPFZSDRMGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F2N2O3S/c1-13(14-6-4-3-5-7-14)22(26(2,24)25)11-10-18(23)21-15-8-9-16(19)17(20)12-15/h3-9,12-13H,10-11H2,1-2H3,(H,21,23).
What are the key properties of N-(3,4-difluorophenyl)-3-[methylsulfonyl(1-phenylethyl)amino]propanamide?
N-(3,4-difluorophenyl)-3-[methylsulfonyl(1-phenylethyl)amino]propanamide has a molecular weight of 382.43 g/mol, XLogP of 3.32, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-3-[methylsulfonyl(1-phenylethyl)amino]propanamide is sourced from PubChem (CID 113139177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).