N-[4-(diethylamino)phenyl]-3-(4-fluorophenyl)sulfanylpropanamide

C19H23FN2OS — CID 30898777

IUPACN-[4-(diethylamino)phenyl]-3-(4-fluorophenyl)sulfanylpropanamide
SMILESCCN(CC)c1ccc(NC(=O)CCSc2ccc(F)cc2)cc1
InChIInChI=1S/C19H23FN2OS/c1-3-22(4-2)17-9-7-16(8-10-17)21-19(23)13-14-24-18-11-5-15(20)6-12-18/h5-12H,3-4,13-14H2,1-2H3,(H,21,23)
InChIKeyKULMGDYZAFGTRR-UHFFFAOYSA-N
MW346.47 g/mol
LogP4.79
Rot. Bonds8

About N-[4-(diethylamino)phenyl]-3-(4-fluorophenyl)sulfanylpropanamide

N-[4-(diethylamino)phenyl]-3-(4-fluorophenyl)sulfanylpropanamide (PubChem CID 30898777) has the molecular formula C19H23FN2OS and a molecular weight of 346.47 g/mol. Its IUPAC name is N-[4-(diethylamino)phenyl]-3-(4-fluorophenyl)sulfanylpropanamide.

Molecular Properties

Compound NameN-[4-(diethylamino)phenyl]-3-(4-fluorophenyl)sulfanylpropanamide
PubChem CID30898777
Molecular FormulaC19H23FN2OS
Molecular Weight346.47 g/mol
Exact Mass346.15
IUPAC NameN-[4-(diethylamino)phenyl]-3-(4-fluorophenyl)sulfanylpropanamide
SMILESCCN(CC)c1ccc(NC(=O)CCSc2ccc(F)cc2)cc1
InChIInChI=1S/C19H23FN2OS/c1-3-22(4-2)17-9-7-16(8-10-17)21-19(23)13-14-24-18-11-5-15(20)6-12-18/h5-12H,3-4,13-14H2,1-2H3,(H,21,23)
InChIKeyKULMGDYZAFGTRR-UHFFFAOYSA-N
XLogP4.79
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-(4-bromophenyl)-3-(4-fluorophenyl)sulfanylpropanamide
CID 7546484
N-[4-(diethylamino)phenyl]-2-(4-fluorophenyl)acetamide
CID 849192
N-(3,5-dimethylphenyl)-3-(4-fluorophenyl)sulfanylpropanamide
CID 7546514
N-(4-fluorophenyl)-4-(4-methylphenyl)sulfanylbutanamide
CID 41086197
N-[4-(diethylamino)phenyl]-N'-(4-fluorophenyl)oxamide
CID 108512632
N-(4-fluorophenyl)-3-(4-nitrophenyl)sulfanylpropanamide
CID 926005
[2-[4-(dimethylamino)anilino]-2-oxoethyl] 3-(4-fluorophenyl)sulfanylpropanoate
CID 7762079
N-[4-(difluoromethoxy)phenyl]-3-(4-fluorophenyl)sulfanylpropanamide
CID 7941129
3-(4-fluorophenyl)sulfanyl-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 7957157
N-(3-amino-4-fluorophenyl)-3-(4-fluorophenyl)sulfanylpropanamide
CID 29034872
N-(4-acetylphenyl)-3-(N-ethyl-4-fluoroanilino)propanamide
CID 56525325
1-[3-(4-fluorophenyl)sulfanylpropanoylamino]-3-(4-methylphenyl)urea
CID 51179263

Frequently Asked Questions

What is the IUPAC name of N-[4-(diethylamino)phenyl]-3-(4-fluorophenyl)sulfanylpropanamide?
The IUPAC name of N-[4-(diethylamino)phenyl]-3-(4-fluorophenyl)sulfanylpropanamide (CID 30898777) is N-[4-(diethylamino)phenyl]-3-(4-fluorophenyl)sulfanylpropanamide.
What is the SMILES notation for N-[4-(diethylamino)phenyl]-3-(4-fluorophenyl)sulfanylpropanamide?
The canonical SMILES for N-[4-(diethylamino)phenyl]-3-(4-fluorophenyl)sulfanylpropanamide is CCN(CC)c1ccc(NC(=O)CCSc2ccc(F)cc2)cc1.
What is the InChIKey of N-[4-(diethylamino)phenyl]-3-(4-fluorophenyl)sulfanylpropanamide?
The InChIKey is KULMGDYZAFGTRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2OS/c1-3-22(4-2)17-9-7-16(8-10-17)21-19(23)13-14-24-18-11-5-15(20)6-12-18/h5-12H,3-4,13-14H2,1-2H3,(H,21,23).
What are the key properties of N-[4-(diethylamino)phenyl]-3-(4-fluorophenyl)sulfanylpropanamide?
N-[4-(diethylamino)phenyl]-3-(4-fluorophenyl)sulfanylpropanamide has a molecular weight of 346.47 g/mol, XLogP of 4.79, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(diethylamino)phenyl]-3-(4-fluorophenyl)sulfanylpropanamide is sourced from PubChem (CID 30898777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).