N-[1-(3,4-difluorophenyl)ethyl]-3-[[(E)-2-phenylethenyl]sulfonylamino]propanamide

C19H20F2N2O3S — CID 51164887

IUPACN-[1-(3,4-difluorophenyl)ethyl]-3-[[(E)-2-phenylethenyl]sulfonylamino]propanamide
SMILESCC(NC(=O)CCNS(=O)(=O)/C=C/c1ccccc1)c1ccc(F)c(F)c1
InChIInChI=1S/C19H20F2N2O3S/c1-14(16-7-8-17(20)18(21)13-16)23-19(24)9-11-22-27(25,26)12-10-15-5-3-2-4-6-15/h2-8,10,12-14,22H,9,11H2,1H3,(H,23,24)/b12-10+
InChIKeyIGHWIDCOXPLXIA-ZRDIBKRKSA-N
MW394.44 g/mol
LogP3.12
Rot. Bonds8

About N-[1-(3,4-difluorophenyl)ethyl]-3-[[(E)-2-phenylethenyl]sulfonylamino]propanamide

N-[1-(3,4-difluorophenyl)ethyl]-3-[[(E)-2-phenylethenyl]sulfonylamino]propanamide (PubChem CID 51164887) has the molecular formula C19H20F2N2O3S and a molecular weight of 394.44 g/mol. Its IUPAC name is N-[1-(3,4-difluorophenyl)ethyl]-3-[[(E)-2-phenylethenyl]sulfonylamino]propanamide.

Molecular Properties

Compound NameN-[1-(3,4-difluorophenyl)ethyl]-3-[[(E)-2-phenylethenyl]sulfonylamino]propanamide
PubChem CID51164887
Molecular FormulaC19H20F2N2O3S
Molecular Weight394.44 g/mol
Exact Mass394.12
IUPAC NameN-[1-(3,4-difluorophenyl)ethyl]-3-[[(E)-2-phenylethenyl]sulfonylamino]propanamide
SMILESCC(NC(=O)CCNS(=O)(=O)/C=C/c1ccccc1)c1ccc(F)c(F)c1
InChIInChI=1S/C19H20F2N2O3S/c1-14(16-7-8-17(20)18(21)13-16)23-19(24)9-11-22-27(25,26)12-10-15-5-3-2-4-6-15/h2-8,10,12-14,22H,9,11H2,1H3,(H,23,24)/b12-10+
InChIKeyIGHWIDCOXPLXIA-ZRDIBKRKSA-N
XLogP3.12
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.44
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-[[(E)-2-phenylethenyl]sulfonylamino]propanamide
CID 55360681
N-[1-(3,4-difluorophenyl)ethyl]-3-[(4-fluorophenyl)sulfonylamino]propanamide
CID 24545638
3-[(4-chlorophenyl)sulfonylamino]-N-[(1R)-1-(3,4-difluorophenyl)ethyl]propanamide
CID 25493668
N-[1-(3,4-difluorophenyl)ethyl]-3-(propan-2-ylamino)propanamide
CID 54924909
5-[1-(3,4-difluorophenyl)ethylamino]-5-oxopentanoic acid
CID 60662108
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-3-[[(E)-2-phenylethenyl]sulfonylamino]propanamide
CID 18116527
3-[(3-acetylphenyl)sulfonylamino]-N-[(1S)-1-(3,4-difluorophenyl)ethyl]propanamide
CID 30942172
N-[1-(3,4-difluorophenyl)ethyl]-2-phenylacetamide
CID 112764194
N-[1-(3,4-difluorophenyl)ethyl]butanamide
CID 60630405
N-[1-(3,4-difluorophenyl)ethyl]-4-(propan-2-ylamino)butanamide
CID 60850443
N-[1-(3,4-difluorophenyl)ethyl]-3-phenylbutanamide
CID 43000604
5-chloro-N-[1-(3,4-difluorophenyl)ethyl]pentanamide
CID 43697347

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-difluorophenyl)ethyl]-3-[[(E)-2-phenylethenyl]sulfonylamino]propanamide?
The IUPAC name of N-[1-(3,4-difluorophenyl)ethyl]-3-[[(E)-2-phenylethenyl]sulfonylamino]propanamide (CID 51164887) is N-[1-(3,4-difluorophenyl)ethyl]-3-[[(E)-2-phenylethenyl]sulfonylamino]propanamide.
What is the SMILES notation for N-[1-(3,4-difluorophenyl)ethyl]-3-[[(E)-2-phenylethenyl]sulfonylamino]propanamide?
The canonical SMILES for N-[1-(3,4-difluorophenyl)ethyl]-3-[[(E)-2-phenylethenyl]sulfonylamino]propanamide is CC(NC(=O)CCNS(=O)(=O)/C=C/c1ccccc1)c1ccc(F)c(F)c1.
What is the InChIKey of N-[1-(3,4-difluorophenyl)ethyl]-3-[[(E)-2-phenylethenyl]sulfonylamino]propanamide?
The InChIKey is IGHWIDCOXPLXIA-ZRDIBKRKSA-N. The full InChI is InChI=1S/C19H20F2N2O3S/c1-14(16-7-8-17(20)18(21)13-16)23-19(24)9-11-22-27(25,26)12-10-15-5-3-2-4-6-15/h2-8,10,12-14,22H,9,11H2,1H3,(H,23,24)/b12-10+.
What are the key properties of N-[1-(3,4-difluorophenyl)ethyl]-3-[[(E)-2-phenylethenyl]sulfonylamino]propanamide?
N-[1-(3,4-difluorophenyl)ethyl]-3-[[(E)-2-phenylethenyl]sulfonylamino]propanamide has a molecular weight of 394.44 g/mol, XLogP of 3.12, 8 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-[[(E)-2-phenylethenyl]sulfonylamino]propanamide is sourced from PubChem (CID 51164887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).