N-[1-(2,4-difluorophenyl)ethyl]-3-(pyridin-3-ylsulfonylamino)propanamide

C16H17F2N3O3S — CID 43072375

IUPACN-[1-(2,4-difluorophenyl)ethyl]-3-(pyridin-3-ylsulfonylamino)propanamide
SMILESCC(NC(=O)CCNS(=O)(=O)c1cccnc1)c1ccc(F)cc1F
InChIInChI=1S/C16H17F2N3O3S/c1-11(14-5-4-12(17)9-15(14)18)21-16(22)6-8-20-25(23,24)13-3-2-7-19-10-13/h2-5,7,9-11,20H,6,8H2,1H3,(H,21,22)
InChIKeyJKAZZBJAEWPCJN-UHFFFAOYSA-N
MW369.39 g/mol
LogP1.91
Rot. Bonds7

About N-[1-(2,4-difluorophenyl)ethyl]-3-(pyridin-3-ylsulfonylamino)propanamide

N-[1-(2,4-difluorophenyl)ethyl]-3-(pyridin-3-ylsulfonylamino)propanamide (PubChem CID 43072375) has the molecular formula C16H17F2N3O3S and a molecular weight of 369.39 g/mol. Its IUPAC name is N-[1-(2,4-difluorophenyl)ethyl]-3-(pyridin-3-ylsulfonylamino)propanamide.

Molecular Properties

Compound NameN-[1-(2,4-difluorophenyl)ethyl]-3-(pyridin-3-ylsulfonylamino)propanamide
PubChem CID43072375
Molecular FormulaC16H17F2N3O3S
Molecular Weight369.39 g/mol
Exact Mass369.10
IUPAC NameN-[1-(2,4-difluorophenyl)ethyl]-3-(pyridin-3-ylsulfonylamino)propanamide
SMILESCC(NC(=O)CCNS(=O)(=O)c1cccnc1)c1ccc(F)cc1F
InChIInChI=1S/C16H17F2N3O3S/c1-11(14-5-4-12(17)9-15(14)18)21-16(22)6-8-20-25(23,24)13-3-2-7-19-10-13/h2-5,7,9-11,20H,6,8H2,1H3,(H,21,22)
InChIKeyJKAZZBJAEWPCJN-UHFFFAOYSA-N
XLogP1.91
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.39
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(2-methylphenyl)ethyl]-3-(pyridin-3-ylsulfonylamino)propanamide
CID 47027647
(2S)-2-[3-(pyridin-3-ylsulfonylamino)propanoylamino]propanoic acid
CID 119943288
N-[2-[1-(4-cyano-2-fluorophenyl)ethylamino]ethyl]pyridine-3-sulfonamide
CID 86814918
3-[(3-bromophenyl)sulfonylamino]-N-(1-pyridin-3-ylethyl)propanamide
CID 55376241
N-[(1R)-1-(2-bromophenyl)ethyl]-3-[(4-fluorophenyl)sulfonylamino]propanamide
CID 51644297
N-[1-(3,4-difluorophenyl)ethyl]-3-[(4-fluorophenyl)sulfonylamino]propanamide
CID 24545638
N-[1-(2,4-difluorophenyl)ethyl]-4-(methylamino)butanamide;hydrochloride
CID 119686258
N-[1-(2,4-difluorophenyl)ethyl]-2-propan-2-ylsulfonylacetamide
CID 87023939
6-[1-(2,4-difluorophenyl)ethylamino]-6-oxohexanoic acid
CID 60941112
N-(1-amino-2,3-dimethylbutan-2-yl)-3-(pyridin-3-ylsulfonylamino)propanamide
CID 119607953
N-[3-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-3-oxopropyl]-2-methylbenzamide
CID 41037701
N-[(1R)-1-(2,4-difluorophenyl)ethyl]pyrazine-2-carboxamide
CID 27797325

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-difluorophenyl)ethyl]-3-(pyridin-3-ylsulfonylamino)propanamide?
The IUPAC name of N-[1-(2,4-difluorophenyl)ethyl]-3-(pyridin-3-ylsulfonylamino)propanamide (CID 43072375) is N-[1-(2,4-difluorophenyl)ethyl]-3-(pyridin-3-ylsulfonylamino)propanamide.
What is the SMILES notation for N-[1-(2,4-difluorophenyl)ethyl]-3-(pyridin-3-ylsulfonylamino)propanamide?
The canonical SMILES for N-[1-(2,4-difluorophenyl)ethyl]-3-(pyridin-3-ylsulfonylamino)propanamide is CC(NC(=O)CCNS(=O)(=O)c1cccnc1)c1ccc(F)cc1F.
What is the InChIKey of N-[1-(2,4-difluorophenyl)ethyl]-3-(pyridin-3-ylsulfonylamino)propanamide?
The InChIKey is JKAZZBJAEWPCJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2N3O3S/c1-11(14-5-4-12(17)9-15(14)18)21-16(22)6-8-20-25(23,24)13-3-2-7-19-10-13/h2-5,7,9-11,20H,6,8H2,1H3,(H,21,22).
What are the key properties of N-[1-(2,4-difluorophenyl)ethyl]-3-(pyridin-3-ylsulfonylamino)propanamide?
N-[1-(2,4-difluorophenyl)ethyl]-3-(pyridin-3-ylsulfonylamino)propanamide has a molecular weight of 369.39 g/mol, XLogP of 1.91, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-difluorophenyl)ethyl]-3-(pyridin-3-ylsulfonylamino)propanamide is sourced from PubChem (CID 43072375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).