3-[(3,4-difluorophenyl)sulfonylamino]-N-(2-phenylsulfanylethyl)propanamide

C17H18F2N2O3S2 — CID 24549470

IUPAC3-[(3,4-difluorophenyl)sulfonylamino]-N-(2-phenylsulfanylethyl)propanamide
SMILESO=C(CCNS(=O)(=O)c1ccc(F)c(F)c1)NCCSc1ccccc1
InChIInChI=1S/C17H18F2N2O3S2/c18-15-7-6-14(12-16(15)19)26(23,24)21-9-8-17(22)20-10-11-25-13-4-2-1-3-5-13/h1-7,12,21H,8-11H2,(H,20,22)
InChIKeyGPYXYWGWHSWRFN-UHFFFAOYSA-N
MW400.47 g/mol
LogP2.54
Rot. Bonds9

About 3-[(3,4-difluorophenyl)sulfonylamino]-N-(2-phenylsulfanylethyl)propanamide

3-[(3,4-difluorophenyl)sulfonylamino]-N-(2-phenylsulfanylethyl)propanamide (PubChem CID 24549470) has the molecular formula C17H18F2N2O3S2 and a molecular weight of 400.47 g/mol. Its IUPAC name is 3-[(3,4-difluorophenyl)sulfonylamino]-N-(2-phenylsulfanylethyl)propanamide.

Molecular Properties

Compound Name3-[(3,4-difluorophenyl)sulfonylamino]-N-(2-phenylsulfanylethyl)propanamide
PubChem CID24549470
Molecular FormulaC17H18F2N2O3S2
Molecular Weight400.47 g/mol
Exact Mass400.07
IUPAC Name3-[(3,4-difluorophenyl)sulfonylamino]-N-(2-phenylsulfanylethyl)propanamide
SMILESO=C(CCNS(=O)(=O)c1ccc(F)c(F)c1)NCCSc1ccccc1
InChIInChI=1S/C17H18F2N2O3S2/c18-15-7-6-14(12-16(15)19)26(23,24)21-9-8-17(22)20-10-11-25-13-4-2-1-3-5-13/h1-7,12,21H,8-11H2,(H,20,22)
InChIKeyGPYXYWGWHSWRFN-UHFFFAOYSA-N
XLogP2.54
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.47
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[(3-chlorophenyl)sulfonylamino]-N-(2-phenylsulfanylethyl)propanamide
CID 27887926
3-[(3,4-difluorophenyl)sulfonylamino]-N-(2-phenoxyethyl)propanamide
CID 32934295
3-[(3,4-difluorophenyl)sulfonylamino]-N-[2-(2-fluorophenyl)ethyl]propanamide
CID 24547426
3-(benzenesulfonamido)-N-(3-phenylsulfanylpropyl)propanamide
CID 24818160
3-[(3,4-difluorophenyl)sulfonylamino]-N-ethylpropanamide
CID 47101447
N-[3-(4-fluorophenyl)sulfanylpropyl]-3-(naphthalen-2-ylsulfonylamino)propanamide
CID 26635601
3-[(3,4-difluorophenyl)sulfonylamino]-N-methylpropanamide
CID 47101515
3-[(3,4-difluorophenyl)sulfonylamino]-N-[2-[di(propan-2-yl)amino]ethyl]propanamide
CID 55376345
N-[2-(4-chlorophenyl)sulfanylethyl]-3-(pyridin-3-ylsulfonylamino)propanamide
CID 43072425
3-[(3,4-difluorophenyl)sulfonylamino]-N-quinolin-2-ylpropanamide
CID 55376371
3-[(3,4-difluorophenyl)sulfonylamino]-N-propan-2-ylpropanamide
CID 24539448
3-[(3,4-difluorophenyl)sulfonylamino]-N-[2-(2-ethylanilino)-2-oxoethyl]propanamide
CID 24543919

Frequently Asked Questions

What is the IUPAC name of 3-[(3,4-difluorophenyl)sulfonylamino]-N-(2-phenylsulfanylethyl)propanamide?
The IUPAC name of 3-[(3,4-difluorophenyl)sulfonylamino]-N-(2-phenylsulfanylethyl)propanamide (CID 24549470) is 3-[(3,4-difluorophenyl)sulfonylamino]-N-(2-phenylsulfanylethyl)propanamide.
What is the SMILES notation for 3-[(3,4-difluorophenyl)sulfonylamino]-N-(2-phenylsulfanylethyl)propanamide?
The canonical SMILES for 3-[(3,4-difluorophenyl)sulfonylamino]-N-(2-phenylsulfanylethyl)propanamide is O=C(CCNS(=O)(=O)c1ccc(F)c(F)c1)NCCSc1ccccc1.
What is the InChIKey of 3-[(3,4-difluorophenyl)sulfonylamino]-N-(2-phenylsulfanylethyl)propanamide?
The InChIKey is GPYXYWGWHSWRFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2N2O3S2/c18-15-7-6-14(12-16(15)19)26(23,24)21-9-8-17(22)20-10-11-25-13-4-2-1-3-5-13/h1-7,12,21H,8-11H2,(H,20,22).
What are the key properties of 3-[(3,4-difluorophenyl)sulfonylamino]-N-(2-phenylsulfanylethyl)propanamide?
3-[(3,4-difluorophenyl)sulfonylamino]-N-(2-phenylsulfanylethyl)propanamide has a molecular weight of 400.47 g/mol, XLogP of 2.54, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,4-difluorophenyl)sulfonylamino]-N-(2-phenylsulfanylethyl)propanamide is sourced from PubChem (CID 24549470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).