N-(4-fluorophenyl)-3-(4-nitrophenyl)sulfanylpropanamide

C15H13FN2O3S — CID 926005

IUPACN-(4-fluorophenyl)-3-(4-nitrophenyl)sulfanylpropanamide
SMILESO=C(CCSc1ccc([N+](=O)[O-])cc1)Nc1ccc(F)cc1
InChIInChI=1S/C15H13FN2O3S/c16-11-1-3-12(4-2-11)17-15(19)9-10-22-14-7-5-13(6-8-14)18(20)21/h1-8H,9-10H2,(H,17,19)
InChIKeyGGGOVTAAAAPZDR-UHFFFAOYSA-N
MW320.34 g/mol
LogP3.85
Rot. Bonds6

About N-(4-fluorophenyl)-3-(4-nitrophenyl)sulfanylpropanamide

N-(4-fluorophenyl)-3-(4-nitrophenyl)sulfanylpropanamide (PubChem CID 926005) has the molecular formula C15H13FN2O3S and a molecular weight of 320.34 g/mol. Its IUPAC name is N-(4-fluorophenyl)-3-(4-nitrophenyl)sulfanylpropanamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-3-(4-nitrophenyl)sulfanylpropanamide
PubChem CID926005
Molecular FormulaC15H13FN2O3S
Molecular Weight320.34 g/mol
Exact Mass320.06
IUPAC NameN-(4-fluorophenyl)-3-(4-nitrophenyl)sulfanylpropanamide
SMILESO=C(CCSc1ccc([N+](=O)[O-])cc1)Nc1ccc(F)cc1
InChIInChI=1S/C15H13FN2O3S/c16-11-1-3-12(4-2-11)17-15(19)9-10-22-14-7-5-13(6-8-14)18(20)21/h1-8H,9-10H2,(H,17,19)
InChIKeyGGGOVTAAAAPZDR-UHFFFAOYSA-N
XLogP3.85
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.34
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-[3-(4-fluorophenyl)sulfanylpropanoylamino]-3-(4-nitrophenyl)thiourea
CID 8682823
N-(4-bromophenyl)-3-(4-fluorophenyl)sulfanylpropanamide
CID 7546484
N-(3,5-dimethylphenyl)-3-(4-nitrophenyl)sulfanylpropanamide
CID 926016
N-[4-(diethylamino)phenyl]-3-(4-fluorophenyl)sulfanylpropanamide
CID 30898777
3-(4-fluorophenyl)sulfanyl-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 7957157
N-[4-(difluoromethoxy)phenyl]-3-(4-fluorophenyl)sulfanylpropanamide
CID 7941129
N-(3,5-dimethylphenyl)-3-(4-fluorophenyl)sulfanylpropanamide
CID 7546514
N-(4-fluorophenyl)-4-(4-methylphenyl)sulfanylbutanamide
CID 41086197
2-(4-hydroxyphenyl)sulfanyl-N-(4-nitrophenyl)acetamide
CID 61032368
N-(3-amino-4-fluorophenyl)-3-(4-fluorophenyl)sulfanylpropanamide
CID 29034872
N-(4-fluorophenyl)-2-[(4-nitrophenyl)methylsulfanyl]acetamide
CID 882447
N-(4-fluorophenyl)-4-[2-(4-nitrophenyl)sulfanylacetyl]piperazine-1-carboxamide
CID 37444746

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-3-(4-nitrophenyl)sulfanylpropanamide?
The IUPAC name of N-(4-fluorophenyl)-3-(4-nitrophenyl)sulfanylpropanamide (CID 926005) is N-(4-fluorophenyl)-3-(4-nitrophenyl)sulfanylpropanamide.
What is the SMILES notation for N-(4-fluorophenyl)-3-(4-nitrophenyl)sulfanylpropanamide?
The canonical SMILES for N-(4-fluorophenyl)-3-(4-nitrophenyl)sulfanylpropanamide is O=C(CCSc1ccc([N+](=O)[O-])cc1)Nc1ccc(F)cc1.
What is the InChIKey of N-(4-fluorophenyl)-3-(4-nitrophenyl)sulfanylpropanamide?
The InChIKey is GGGOVTAAAAPZDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2O3S/c16-11-1-3-12(4-2-11)17-15(19)9-10-22-14-7-5-13(6-8-14)18(20)21/h1-8H,9-10H2,(H,17,19).
What are the key properties of N-(4-fluorophenyl)-3-(4-nitrophenyl)sulfanylpropanamide?
N-(4-fluorophenyl)-3-(4-nitrophenyl)sulfanylpropanamide has a molecular weight of 320.34 g/mol, XLogP of 3.85, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-3-(4-nitrophenyl)sulfanylpropanamide is sourced from PubChem (CID 926005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).