3,5-difluoro-N-[(S)-phenyl(thiophen-2-yl)methyl]benzamide

C18H13F2NOS — CID 8854012

IUPAC3,5-difluoro-N-[(S)-phenyl(thiophen-2-yl)methyl]benzamide
SMILESO=C(N[C@@H](c1ccccc1)c1cccs1)c1cc(F)cc(F)c1
InChIInChI=1S/C18H13F2NOS/c19-14-9-13(10-15(20)11-14)18(22)21-17(16-7-4-8-23-16)12-5-2-1-3-6-12/h1-11,17H,(H,21,22)/t17-/m0/s1
InChIKeyLLSCUUXDGWFZPI-KRWDZBQOSA-N
MW329.37 g/mol
LogP4.55
Rot. Bonds4

About 3,5-difluoro-N-[(S)-phenyl(thiophen-2-yl)methyl]benzamide

3,5-difluoro-N-[(S)-phenyl(thiophen-2-yl)methyl]benzamide (PubChem CID 8854012) has the molecular formula C18H13F2NOS and a molecular weight of 329.37 g/mol. Its IUPAC name is 3,5-difluoro-N-[(S)-phenyl(thiophen-2-yl)methyl]benzamide.

Molecular Properties

Compound Name3,5-difluoro-N-[(S)-phenyl(thiophen-2-yl)methyl]benzamide
PubChem CID8854012
Molecular FormulaC18H13F2NOS
Molecular Weight329.37 g/mol
Exact Mass329.07
IUPAC Name3,5-difluoro-N-[(S)-phenyl(thiophen-2-yl)methyl]benzamide
SMILESO=C(N[C@@H](c1ccccc1)c1cccs1)c1cc(F)cc(F)c1
InChIInChI=1S/C18H13F2NOS/c19-14-9-13(10-15(20)11-14)18(22)21-17(16-7-4-8-23-16)12-5-2-1-3-6-12/h1-11,17H,(H,21,22)/t17-/m0/s1
InChIKeyLLSCUUXDGWFZPI-KRWDZBQOSA-N
XLogP4.55
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.37
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3,5-difluoro-N-[(S)-phenyl(thiophen-2-yl)methyl]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

N-[(4-fluorophenyl)-thiophen-2-ylmethyl]benzamide
CID 46565128
4-chloro-N-[(R)-phenyl(thiophen-2-yl)methyl]benzamide
CID 8820635
3,5-difluoro-N-[(S)-furan-2-yl(phenyl)methyl]benzamide
CID 8928311
3,4,5-triethoxy-N-[(R)-phenyl(thiophen-2-yl)methyl]benzamide
CID 8820643
4-cyano-N-[(S)-phenyl(thiophen-2-yl)methyl]benzamide
CID 8853563
3-methoxy-N-[(S)-phenyl(thiophen-2-yl)methyl]benzamide
CID 8820699
4-methylsulfonyl-N-[phenyl(thiophen-2-yl)methyl]benzamide
CID 46564732
6-oxo-N-[(R)-phenyl(thiophen-2-yl)methyl]-1H-pyridine-3-carboxamide
CID 41023450
3,5-difluoro-N-[(1-methylimidazol-2-yl)-phenylmethyl]benzamide
CID 17495226
3-nitro-N-[phenyl(thiophen-2-yl)methyl]benzamide
CID 46449776
2-fluoro-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]benzamide
CID 46601354
2,2,2-trifluoro-N-[phenyl(thiophen-2-yl)methyl]acetamide
CID 62733554

Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-N-[(S)-phenyl(thiophen-2-yl)methyl]benzamide?
The IUPAC name of 3,5-difluoro-N-[(S)-phenyl(thiophen-2-yl)methyl]benzamide (CID 8854012) is 3,5-difluoro-N-[(S)-phenyl(thiophen-2-yl)methyl]benzamide.
What is the SMILES notation for 3,5-difluoro-N-[(S)-phenyl(thiophen-2-yl)methyl]benzamide?
The canonical SMILES for 3,5-difluoro-N-[(S)-phenyl(thiophen-2-yl)methyl]benzamide is O=C(N[C@@H](c1ccccc1)c1cccs1)c1cc(F)cc(F)c1.
What is the InChIKey of 3,5-difluoro-N-[(S)-phenyl(thiophen-2-yl)methyl]benzamide?
The InChIKey is LLSCUUXDGWFZPI-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H13F2NOS/c19-14-9-13(10-15(20)11-14)18(22)21-17(16-7-4-8-23-16)12-5-2-1-3-6-12/h1-11,17H,(H,21,22)/t17-/m0/s1.
What are the key properties of 3,5-difluoro-N-[(S)-phenyl(thiophen-2-yl)methyl]benzamide?
3,5-difluoro-N-[(S)-phenyl(thiophen-2-yl)methyl]benzamide has a molecular weight of 329.37 g/mol, XLogP of 4.55, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-N-[(S)-phenyl(thiophen-2-yl)methyl]benzamide is sourced from PubChem (CID 8854012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).