N-(3,4-difluorophenyl)-N-ethyl-4-[(4-fluorophenyl)sulfonyl-methylamino]butanamide

C19H21F3N2O3S — CID 55592039

IUPACN-(3,4-difluorophenyl)-N-ethyl-4-[(4-fluorophenyl)sulfonyl-methylamino]butanamide
SMILESCCN(C(=O)CCCN(C)S(=O)(=O)c1ccc(F)cc1)c1ccc(F)c(F)c1
InChIInChI=1S/C19H21F3N2O3S/c1-3-24(15-8-11-17(21)18(22)13-15)19(25)5-4-12-23(2)28(26,27)16-9-6-14(20)7-10-16/h6-11,13H,3-5,12H2,1-2H3
InChIKeyPGGGRMYJIIVVTK-UHFFFAOYSA-N
MW414.45 g/mol
LogP3.56
Rot. Bonds8

About N-(3,4-difluorophenyl)-N-ethyl-4-[(4-fluorophenyl)sulfonyl-methylamino]butanamide

N-(3,4-difluorophenyl)-N-ethyl-4-[(4-fluorophenyl)sulfonyl-methylamino]butanamide (PubChem CID 55592039) has the molecular formula C19H21F3N2O3S and a molecular weight of 414.45 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-N-ethyl-4-[(4-fluorophenyl)sulfonyl-methylamino]butanamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-N-ethyl-4-[(4-fluorophenyl)sulfonyl-methylamino]butanamide
PubChem CID55592039
Molecular FormulaC19H21F3N2O3S
Molecular Weight414.45 g/mol
Exact Mass414.12
IUPAC NameN-(3,4-difluorophenyl)-N-ethyl-4-[(4-fluorophenyl)sulfonyl-methylamino]butanamide
SMILESCCN(C(=O)CCCN(C)S(=O)(=O)c1ccc(F)cc1)c1ccc(F)c(F)c1
InChIInChI=1S/C19H21F3N2O3S/c1-3-24(15-8-11-17(21)18(22)13-15)19(25)5-4-12-23(2)28(26,27)16-9-6-14(20)7-10-16/h6-11,13H,3-5,12H2,1-2H3
InChIKeyPGGGRMYJIIVVTK-UHFFFAOYSA-N
XLogP3.56
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.45
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-4-[(4-fluorophenyl)sulfonyl-methylamino]-N-phenylbutanamide
CID 55363261
4-[(4-fluorophenyl)sulfonyl-methylamino]-N-methyl-N-phenylbutanamide
CID 39753065
2-[butan-2-yl-[4-[(4-fluorophenyl)sulfonyl-methylamino]butanoyl]amino]acetic acid
CID 119954928
N-ethyl-N-(4-fluorophenyl)hexanamide
CID 78806862
2-amino-N-(3,4-difluorophenyl)-N-ethylacetamide
CID 28794968
4-[(4-fluorophenyl)sulfonyl-methylamino]-N-methyl-N-(1-phenylethyl)butanamide
CID 51188184
3-[4-(diethylsulfamoyl)phenyl]-N-(3,4-difluorophenyl)-N-methylpropanamide
CID 60576277
N-[(4-chlorophenyl)methyl]-4-[(4-fluorophenyl)sulfonyl-methylamino]butanamide
CID 27660395
N-(3-aminopropyl)-4-[(4-fluorophenyl)sulfonyl-methylamino]butanamide;hydrochloride
CID 119405561
N-ethyl-N-(4-fluorophenyl)-4-methoxybutanamide
CID 78883434
N-(4-ethylcyclohexyl)-4-[(4-fluorophenyl)sulfonyl-methylamino]butanamide
CID 112816434
N-(3-fluorophenyl)-4-[(4-fluorophenyl)sulfonyl-methylamino]butanamide
CID 30845467

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-N-ethyl-4-[(4-fluorophenyl)sulfonyl-methylamino]butanamide?
The IUPAC name of N-(3,4-difluorophenyl)-N-ethyl-4-[(4-fluorophenyl)sulfonyl-methylamino]butanamide (CID 55592039) is N-(3,4-difluorophenyl)-N-ethyl-4-[(4-fluorophenyl)sulfonyl-methylamino]butanamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-N-ethyl-4-[(4-fluorophenyl)sulfonyl-methylamino]butanamide?
The canonical SMILES for N-(3,4-difluorophenyl)-N-ethyl-4-[(4-fluorophenyl)sulfonyl-methylamino]butanamide is CCN(C(=O)CCCN(C)S(=O)(=O)c1ccc(F)cc1)c1ccc(F)c(F)c1.
What is the InChIKey of N-(3,4-difluorophenyl)-N-ethyl-4-[(4-fluorophenyl)sulfonyl-methylamino]butanamide?
The InChIKey is PGGGRMYJIIVVTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N2O3S/c1-3-24(15-8-11-17(21)18(22)13-15)19(25)5-4-12-23(2)28(26,27)16-9-6-14(20)7-10-16/h6-11,13H,3-5,12H2,1-2H3.
What are the key properties of N-(3,4-difluorophenyl)-N-ethyl-4-[(4-fluorophenyl)sulfonyl-methylamino]butanamide?
N-(3,4-difluorophenyl)-N-ethyl-4-[(4-fluorophenyl)sulfonyl-methylamino]butanamide has a molecular weight of 414.45 g/mol, XLogP of 3.56, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-N-ethyl-4-[(4-fluorophenyl)sulfonyl-methylamino]butanamide is sourced from PubChem (CID 55592039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).