2,4-difluoro-N-[3-oxo-3-(2-phenylsulfanylethylamino)propyl]benzamide

C18H18F2N2O2S — CID 42103921

IUPAC2,4-difluoro-N-[3-oxo-3-(2-phenylsulfanylethylamino)propyl]benzamide
SMILESO=C(CCNC(=O)c1ccc(F)cc1F)NCCSc1ccccc1
InChIInChI=1S/C18H18F2N2O2S/c19-13-6-7-15(16(20)12-13)18(24)22-9-8-17(23)21-10-11-25-14-4-2-1-3-5-14/h1-7,12H,8-11H2,(H,21,23)(H,22,24)
InChIKeyHMKVLQMRQSODCA-UHFFFAOYSA-N
MW364.42 g/mol
LogP2.99
Rot. Bonds8

About 2,4-difluoro-N-[3-oxo-3-(2-phenylsulfanylethylamino)propyl]benzamide

2,4-difluoro-N-[3-oxo-3-(2-phenylsulfanylethylamino)propyl]benzamide (PubChem CID 42103921) has the molecular formula C18H18F2N2O2S and a molecular weight of 364.42 g/mol. Its IUPAC name is 2,4-difluoro-N-[3-oxo-3-(2-phenylsulfanylethylamino)propyl]benzamide.

Molecular Properties

Compound Name2,4-difluoro-N-[3-oxo-3-(2-phenylsulfanylethylamino)propyl]benzamide
PubChem CID42103921
Molecular FormulaC18H18F2N2O2S
Molecular Weight364.42 g/mol
Exact Mass364.11
IUPAC Name2,4-difluoro-N-[3-oxo-3-(2-phenylsulfanylethylamino)propyl]benzamide
SMILESO=C(CCNC(=O)c1ccc(F)cc1F)NCCSc1ccccc1
InChIInChI=1S/C18H18F2N2O2S/c19-13-6-7-15(16(20)12-13)18(24)22-9-8-17(23)21-10-11-25-14-4-2-1-3-5-14/h1-7,12H,8-11H2,(H,21,23)(H,22,24)
InChIKeyHMKVLQMRQSODCA-UHFFFAOYSA-N
XLogP2.99
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.42
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2,4-difluoro-N-[3-oxo-3-(2-phenylsulfanylethylamino)propyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,4-difluoro-N-[3-oxo-3-(2-phenoxyethylamino)propyl]benzamide
CID 18168568
3-[4-[(2,4-difluorobenzoyl)amino]butanoylamino]propanoic acid
CID 119176967
2,4-difluoro-N-[3-[2-(2-fluorobenzoyl)hydrazinyl]-3-oxopropyl]benzamide
CID 30457128
2-(2,5-difluorophenyl)sulfanyl-N-(2-phenylsulfanylethyl)acetamide
CID 9483105
N-[3-[3-[benzyl(methyl)amino]propylamino]-3-oxopropyl]-2,4-difluorobenzamide
CID 29478462
2,4-difluoro-N-[3-oxo-3-(2,2,2-trifluoroethylamino)propyl]benzamide
CID 78802712
2,4-difluoro-N-[3-(2-hydroxyanilino)-3-oxopropyl]benzamide
CID 51314532
N-[4-(benzylamino)-4-oxobutyl]-2,4-difluorobenzamide
CID 29414441
N-[3-[2-(3-bromophenoxy)ethylamino]-3-oxopropyl]-2,4-difluorobenzamide
CID 55919465
N-[2-[(2-benzamidoacetyl)amino]ethyl]-2,4-difluorobenzamide
CID 108571301
N-[3-[2-(3-chlorophenyl)ethylamino]-3-oxopropyl]-2,4-difluorobenzamide
CID 51192847
2,4-difluoro-N-[2-[2-[(2-fluorophenyl)methylsulfanyl]ethylamino]-2-oxoethyl]benzamide
CID 46690552

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-N-[3-oxo-3-(2-phenylsulfanylethylamino)propyl]benzamide?
The IUPAC name of 2,4-difluoro-N-[3-oxo-3-(2-phenylsulfanylethylamino)propyl]benzamide (CID 42103921) is 2,4-difluoro-N-[3-oxo-3-(2-phenylsulfanylethylamino)propyl]benzamide.
What is the SMILES notation for 2,4-difluoro-N-[3-oxo-3-(2-phenylsulfanylethylamino)propyl]benzamide?
The canonical SMILES for 2,4-difluoro-N-[3-oxo-3-(2-phenylsulfanylethylamino)propyl]benzamide is O=C(CCNC(=O)c1ccc(F)cc1F)NCCSc1ccccc1.
What is the InChIKey of 2,4-difluoro-N-[3-oxo-3-(2-phenylsulfanylethylamino)propyl]benzamide?
The InChIKey is HMKVLQMRQSODCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F2N2O2S/c19-13-6-7-15(16(20)12-13)18(24)22-9-8-17(23)21-10-11-25-14-4-2-1-3-5-14/h1-7,12H,8-11H2,(H,21,23)(H,22,24).
What are the key properties of 2,4-difluoro-N-[3-oxo-3-(2-phenylsulfanylethylamino)propyl]benzamide?
2,4-difluoro-N-[3-oxo-3-(2-phenylsulfanylethylamino)propyl]benzamide has a molecular weight of 364.42 g/mol, XLogP of 2.99, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-N-[3-oxo-3-(2-phenylsulfanylethylamino)propyl]benzamide is sourced from PubChem (CID 42103921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).