N-[(3,4-difluorophenyl)methyl]-3-phenyl-2-sulfanylpropanamide

C16H15F2NOS — CID 107025914

IUPACN-[(3,4-difluorophenyl)methyl]-3-phenyl-2-sulfanylpropanamide
SMILESO=C(NCc1ccc(F)c(F)c1)C(S)Cc1ccccc1
InChIInChI=1S/C16H15F2NOS/c17-13-7-6-12(8-14(13)18)10-19-16(20)15(21)9-11-4-2-1-3-5-11/h1-8,15,21H,9-10H2,(H,19,20)
InChIKeyLHOWZZFEHKJTFO-UHFFFAOYSA-N
MW307.37 g/mol
LogP3.12
Rot. Bonds5

About N-[(3,4-difluorophenyl)methyl]-3-phenyl-2-sulfanylpropanamide

N-[(3,4-difluorophenyl)methyl]-3-phenyl-2-sulfanylpropanamide (PubChem CID 107025914) has the molecular formula C16H15F2NOS and a molecular weight of 307.37 g/mol. Its IUPAC name is N-[(3,4-difluorophenyl)methyl]-3-phenyl-2-sulfanylpropanamide.

Molecular Properties

Compound NameN-[(3,4-difluorophenyl)methyl]-3-phenyl-2-sulfanylpropanamide
PubChem CID107025914
Molecular FormulaC16H15F2NOS
Molecular Weight307.37 g/mol
Exact Mass307.08
IUPAC NameN-[(3,4-difluorophenyl)methyl]-3-phenyl-2-sulfanylpropanamide
SMILESO=C(NCc1ccc(F)c(F)c1)C(S)Cc1ccccc1
InChIInChI=1S/C16H15F2NOS/c17-13-7-6-12(8-14(13)18)10-19-16(20)15(21)9-11-4-2-1-3-5-11/h1-8,15,21H,9-10H2,(H,19,20)
InChIKeyLHOWZZFEHKJTFO-UHFFFAOYSA-N
XLogP3.12
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.37
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze N-[(3,4-difluorophenyl)methyl]-3-phenyl-2-sulfanylpropanamide 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

N-[(3,4-difluorophenyl)methyl]-2-phenylacetamide
CID 110781029
N,N'-dibenzyl-2-[(3-phenyl-2-sulfanylpropanoyl)amino]propanediamide
CID 18348141
N-[(3,4-difluorophenyl)methyl]-3-phenylpropanamide
CID 110781032
(2R)-2-amino-N-[(3,4-difluorophenyl)methyl]propanamide
CID 78973210
N,N'-bis[(3,4-difluorophenyl)methyl]oxamide
CID 126500404
N,N'-dibenzyl-2-(3-phenyl-2-sulfanylpropanoyl)arsanylpropanediamide
CID 173255243
(2S)-3-phenyl-2-sulfanylpropanoic acid
CID 10154332
N-(3-hydroxypropyl)-3-phenyl-2-sulfanylpropanamide
CID 107028408
N-(cyclopropylmethyl)-3-phenyl-2-sulfanylpropanamide
CID 107019674
N-(3-hydroxybutyl)-3-phenyl-2-sulfanylpropanamide
CID 107031052
N-(3-fluoro-4-methylphenyl)-3-phenyl-2-sulfanylpropanamide
CID 107021266
N-benzyl-3,4-difluorobenzamide
CID 1294460

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-difluorophenyl)methyl]-3-phenyl-2-sulfanylpropanamide?
The IUPAC name of N-[(3,4-difluorophenyl)methyl]-3-phenyl-2-sulfanylpropanamide (CID 107025914) is N-[(3,4-difluorophenyl)methyl]-3-phenyl-2-sulfanylpropanamide.
What is the SMILES notation for N-[(3,4-difluorophenyl)methyl]-3-phenyl-2-sulfanylpropanamide?
The canonical SMILES for N-[(3,4-difluorophenyl)methyl]-3-phenyl-2-sulfanylpropanamide is O=C(NCc1ccc(F)c(F)c1)C(S)Cc1ccccc1.
What is the InChIKey of N-[(3,4-difluorophenyl)methyl]-3-phenyl-2-sulfanylpropanamide?
The InChIKey is LHOWZZFEHKJTFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2NOS/c17-13-7-6-12(8-14(13)18)10-19-16(20)15(21)9-11-4-2-1-3-5-11/h1-8,15,21H,9-10H2,(H,19,20).
What are the key properties of N-[(3,4-difluorophenyl)methyl]-3-phenyl-2-sulfanylpropanamide?
N-[(3,4-difluorophenyl)methyl]-3-phenyl-2-sulfanylpropanamide has a molecular weight of 307.37 g/mol, XLogP of 3.12, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-difluorophenyl)methyl]-3-phenyl-2-sulfanylpropanamide is sourced from PubChem (CID 107025914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).