N-[(3-fluorophenyl)methyl]-3-phenylsulfanylpropanamide

C16H16FNOS — CID 53279525

IUPACN-[(3-fluorophenyl)methyl]-3-phenylsulfanylpropanamide
SMILESO=C(CCSc1ccccc1)NCc1cccc(F)c1
InChIInChI=1S/C16H16FNOS/c17-14-6-4-5-13(11-14)12-18-16(19)9-10-20-15-7-2-1-3-8-15/h1-8,11H,9-10,12H2,(H,18,19)
InChIKeyPTPGDYZDHRRYKJ-UHFFFAOYSA-N
MW289.38 g/mol
LogP3.62
Rot. Bonds6

About N-[(3-fluorophenyl)methyl]-3-phenylsulfanylpropanamide

N-[(3-fluorophenyl)methyl]-3-phenylsulfanylpropanamide (PubChem CID 53279525) has the molecular formula C16H16FNOS and a molecular weight of 289.38 g/mol. Its IUPAC name is N-[(3-fluorophenyl)methyl]-3-phenylsulfanylpropanamide.

Molecular Properties

Compound NameN-[(3-fluorophenyl)methyl]-3-phenylsulfanylpropanamide
PubChem CID53279525
Molecular FormulaC16H16FNOS
Molecular Weight289.38 g/mol
Exact Mass289.09
IUPAC NameN-[(3-fluorophenyl)methyl]-3-phenylsulfanylpropanamide
SMILESO=C(CCSc1ccccc1)NCc1cccc(F)c1
InChIInChI=1S/C16H16FNOS/c17-14-6-4-5-13(11-14)12-18-16(19)9-10-20-15-7-2-1-3-8-15/h1-8,11H,9-10,12H2,(H,18,19)
InChIKeyPTPGDYZDHRRYKJ-UHFFFAOYSA-N
XLogP3.62
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(3-fluorophenyl)methyl]-3-phenylsulfanylpropanamide 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

4-[(3-fluorophenyl)methylamino]-4-oxobutanoic acid
CID 43529773
4-amino-N-[(3-fluorophenyl)methyl]-4-phenylbutanamide
CID 63324328
N-[(3-fluorophenyl)methyl]-2-pyridin-4-ylsulfanylacetamide
CID 86926259
3-phenylsulfanyl-N-[(3-pyridin-2-yloxyphenyl)methyl]propanamide
CID 90596092
3-(4-chlorophenyl)sulfanyl-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide
CID 100765319
4-amino-N-[(3-fluorophenyl)methyl]butanamide;hydrochloride
CID 119279529
2-anilino-N-[(3-fluorophenyl)methyl]acetamide
CID 54927417
N-benzyl-3-(4-methoxyphenyl)sulfanylpropanamide
CID 41325047
3-phenylsulfanyl-N-[[4-(trifluoromethoxy)phenyl]methyl]propanamide
CID 24584153
N-[(3-fluorophenyl)methyl]-2-[4-[(2-phenylsulfanylacetyl)amino]pyrazol-1-yl]acetamide
CID 126465127
2-(4-chlorophenyl)-N-[(3-fluorophenyl)methyl]acetamide
CID 47161047
3-(3-aminophenyl)-N-[(3-fluorophenyl)methyl]propanamide
CID 43309221

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)methyl]-3-phenylsulfanylpropanamide?
The IUPAC name of N-[(3-fluorophenyl)methyl]-3-phenylsulfanylpropanamide (CID 53279525) is N-[(3-fluorophenyl)methyl]-3-phenylsulfanylpropanamide.
What is the SMILES notation for N-[(3-fluorophenyl)methyl]-3-phenylsulfanylpropanamide?
The canonical SMILES for N-[(3-fluorophenyl)methyl]-3-phenylsulfanylpropanamide is O=C(CCSc1ccccc1)NCc1cccc(F)c1.
What is the InChIKey of N-[(3-fluorophenyl)methyl]-3-phenylsulfanylpropanamide?
The InChIKey is PTPGDYZDHRRYKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNOS/c17-14-6-4-5-13(11-14)12-18-16(19)9-10-20-15-7-2-1-3-8-15/h1-8,11H,9-10,12H2,(H,18,19).
What are the key properties of N-[(3-fluorophenyl)methyl]-3-phenylsulfanylpropanamide?
N-[(3-fluorophenyl)methyl]-3-phenylsulfanylpropanamide has a molecular weight of 289.38 g/mol, XLogP of 3.62, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)methyl]-3-phenylsulfanylpropanamide is sourced from PubChem (CID 53279525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).