N-[1-(3,4-difluorophenyl)ethyl]-3-[(4-fluorophenyl)sulfonylamino]propanamide

C17H17F3N2O3S — CID 24545638

IUPACN-[1-(3,4-difluorophenyl)ethyl]-3-[(4-fluorophenyl)sulfonylamino]propanamide
SMILESCC(NC(=O)CCNS(=O)(=O)c1ccc(F)cc1)c1ccc(F)c(F)c1
InChIInChI=1S/C17H17F3N2O3S/c1-11(12-2-7-15(19)16(20)10-12)22-17(23)8-9-21-26(24,25)14-5-3-13(18)4-6-14/h2-7,10-11,21H,8-9H2,1H3,(H,22,23)
InChIKeyUQLFIFDHGGKIAY-UHFFFAOYSA-N
MW386.40 g/mol
LogP2.65
Rot. Bonds7

About N-[1-(3,4-difluorophenyl)ethyl]-3-[(4-fluorophenyl)sulfonylamino]propanamide

N-[1-(3,4-difluorophenyl)ethyl]-3-[(4-fluorophenyl)sulfonylamino]propanamide (PubChem CID 24545638) has the molecular formula C17H17F3N2O3S and a molecular weight of 386.40 g/mol. Its IUPAC name is N-[1-(3,4-difluorophenyl)ethyl]-3-[(4-fluorophenyl)sulfonylamino]propanamide.

Molecular Properties

Compound NameN-[1-(3,4-difluorophenyl)ethyl]-3-[(4-fluorophenyl)sulfonylamino]propanamide
PubChem CID24545638
Molecular FormulaC17H17F3N2O3S
Molecular Weight386.40 g/mol
Exact Mass386.09
IUPAC NameN-[1-(3,4-difluorophenyl)ethyl]-3-[(4-fluorophenyl)sulfonylamino]propanamide
SMILESCC(NC(=O)CCNS(=O)(=O)c1ccc(F)cc1)c1ccc(F)c(F)c1
InChIInChI=1S/C17H17F3N2O3S/c1-11(12-2-7-15(19)16(20)10-12)22-17(23)8-9-21-26(24,25)14-5-3-13(18)4-6-14/h2-7,10-11,21H,8-9H2,1H3,(H,22,23)
InChIKeyUQLFIFDHGGKIAY-UHFFFAOYSA-N
XLogP2.65
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.40
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(4-chlorophenyl)sulfonylamino]-N-[(1R)-1-(3,4-difluorophenyl)ethyl]propanamide
CID 25493668
3-[(3,4-difluorophenyl)sulfonylamino]-N-[1-(4-methylsulfonylphenyl)ethyl]propanamide
CID 24552138
N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-3-[(4-fluorophenyl)sulfonylamino]propanamide
CID 55502156
3-[(3-acetylphenyl)sulfonylamino]-N-[(1S)-1-(3,4-difluorophenyl)ethyl]propanamide
CID 30942172
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3-[(4-propan-2-ylphenyl)sulfonylamino]propanamide
CID 24550136
N-[1-(4-ethoxyphenyl)ethyl]-3-[(4-fluorophenyl)sulfonylamino]propanamide
CID 24575222
3-[(3,4-difluorophenyl)sulfonylamino]-N-propan-2-ylpropanamide
CID 24539448
N-[1-(3,4-difluorophenyl)ethyl]-3-(propan-2-ylamino)propanamide
CID 54924909
N-[(1S)-1-(4-fluorophenyl)ethyl]-3-[4-(propylsulfamoyl)phenyl]propanamide
CID 30402368
(2R)-2-[3-[(4-fluorophenyl)sulfonylamino]propanoylamino]-3-methylbutanoic acid
CID 119368464
N-[(1R)-1-(2-bromophenyl)ethyl]-3-[(4-fluorophenyl)sulfonylamino]propanamide
CID 51644297
N-[1-(3,4-difluorophenyl)ethyl]butanamide
CID 60630405

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-difluorophenyl)ethyl]-3-[(4-fluorophenyl)sulfonylamino]propanamide?
The IUPAC name of N-[1-(3,4-difluorophenyl)ethyl]-3-[(4-fluorophenyl)sulfonylamino]propanamide (CID 24545638) is N-[1-(3,4-difluorophenyl)ethyl]-3-[(4-fluorophenyl)sulfonylamino]propanamide.
What is the SMILES notation for N-[1-(3,4-difluorophenyl)ethyl]-3-[(4-fluorophenyl)sulfonylamino]propanamide?
The canonical SMILES for N-[1-(3,4-difluorophenyl)ethyl]-3-[(4-fluorophenyl)sulfonylamino]propanamide is CC(NC(=O)CCNS(=O)(=O)c1ccc(F)cc1)c1ccc(F)c(F)c1.
What is the InChIKey of N-[1-(3,4-difluorophenyl)ethyl]-3-[(4-fluorophenyl)sulfonylamino]propanamide?
The InChIKey is UQLFIFDHGGKIAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N2O3S/c1-11(12-2-7-15(19)16(20)10-12)22-17(23)8-9-21-26(24,25)14-5-3-13(18)4-6-14/h2-7,10-11,21H,8-9H2,1H3,(H,22,23).
What are the key properties of N-[1-(3,4-difluorophenyl)ethyl]-3-[(4-fluorophenyl)sulfonylamino]propanamide?
N-[1-(3,4-difluorophenyl)ethyl]-3-[(4-fluorophenyl)sulfonylamino]propanamide has a molecular weight of 386.40 g/mol, XLogP of 2.65, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-difluorophenyl)ethyl]-3-[(4-fluorophenyl)sulfonylamino]propanamide is sourced from PubChem (CID 24545638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).