3,4-difluoro-N-[[5-[(S)-hydroxy(phenyl)methyl]thiophen-2-yl]methyl]benzamide

C19H15F2NO2S — CID 99981817

IUPAC3,4-difluoro-N-[[5-[(S)-hydroxy(phenyl)methyl]thiophen-2-yl]methyl]benzamide
SMILESO=C(NCc1ccc([C@@H](O)c2ccccc2)s1)c1ccc(F)c(F)c1
InChIInChI=1S/C19H15F2NO2S/c20-15-8-6-13(10-16(15)21)19(24)22-11-14-7-9-17(25-14)18(23)12-4-2-1-3-5-12/h1-10,18,23H,11H2,(H,22,24)/t18-/m0/s1
InChIKeyVZKITPFQRDMXDK-SFHVURJKSA-N
MW359.40 g/mol
LogP4.04
Rot. Bonds5

About 3,4-difluoro-N-[[5-[(S)-hydroxy(phenyl)methyl]thiophen-2-yl]methyl]benzamide

3,4-difluoro-N-[[5-[(S)-hydroxy(phenyl)methyl]thiophen-2-yl]methyl]benzamide (PubChem CID 99981817) has the molecular formula C19H15F2NO2S and a molecular weight of 359.40 g/mol. Its IUPAC name is 3,4-difluoro-N-[[5-[(S)-hydroxy(phenyl)methyl]thiophen-2-yl]methyl]benzamide.

Molecular Properties

Compound Name3,4-difluoro-N-[[5-[(S)-hydroxy(phenyl)methyl]thiophen-2-yl]methyl]benzamide
PubChem CID99981817
Molecular FormulaC19H15F2NO2S
Molecular Weight359.40 g/mol
Exact Mass359.08
IUPAC Name3,4-difluoro-N-[[5-[(S)-hydroxy(phenyl)methyl]thiophen-2-yl]methyl]benzamide
SMILESO=C(NCc1ccc([C@@H](O)c2ccccc2)s1)c1ccc(F)c(F)c1
InChIInChI=1S/C19H15F2NO2S/c20-15-8-6-13(10-16(15)21)19(24)22-11-14-7-9-17(25-14)18(23)12-4-2-1-3-5-12/h1-10,18,23H,11H2,(H,22,24)/t18-/m0/s1
InChIKeyVZKITPFQRDMXDK-SFHVURJKSA-N
XLogP4.04
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.40
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]-3,4-dimethoxybenzamide
CID 86264191
3,4-difluoro-N-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]benzenesulfonamide
CID 72717773
N-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]-2,4-dimethylbenzamide
CID 121134099
5-chloro-N-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]-2-methoxybenzamide
CID 121134157
N-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]naphthalene-1-carboxamide
CID 121134132
methyl N-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]carbamate
CID 121134072
N-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]-4-methylthiophene-2-carboxamide
CID 121134090
5-bromo-2-chloro-N-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]benzamide
CID 121134203
N-benzyl-3,4-difluorobenzamide
CID 1294460
N-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]-2-(4-phenylphenyl)acetamide
CID 121134188
4-chloro-N-[[5-[(S)-hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]benzamide
CID 97041440
1-(3,5-dimethylphenyl)-3-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]urea
CID 121134389

Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-N-[[5-[(S)-hydroxy(phenyl)methyl]thiophen-2-yl]methyl]benzamide?
The IUPAC name of 3,4-difluoro-N-[[5-[(S)-hydroxy(phenyl)methyl]thiophen-2-yl]methyl]benzamide (CID 99981817) is 3,4-difluoro-N-[[5-[(S)-hydroxy(phenyl)methyl]thiophen-2-yl]methyl]benzamide.
What is the SMILES notation for 3,4-difluoro-N-[[5-[(S)-hydroxy(phenyl)methyl]thiophen-2-yl]methyl]benzamide?
The canonical SMILES for 3,4-difluoro-N-[[5-[(S)-hydroxy(phenyl)methyl]thiophen-2-yl]methyl]benzamide is O=C(NCc1ccc([C@@H](O)c2ccccc2)s1)c1ccc(F)c(F)c1.
What is the InChIKey of 3,4-difluoro-N-[[5-[(S)-hydroxy(phenyl)methyl]thiophen-2-yl]methyl]benzamide?
The InChIKey is VZKITPFQRDMXDK-SFHVURJKSA-N. The full InChI is InChI=1S/C19H15F2NO2S/c20-15-8-6-13(10-16(15)21)19(24)22-11-14-7-9-17(25-14)18(23)12-4-2-1-3-5-12/h1-10,18,23H,11H2,(H,22,24)/t18-/m0/s1.
What are the key properties of 3,4-difluoro-N-[[5-[(S)-hydroxy(phenyl)methyl]thiophen-2-yl]methyl]benzamide?
3,4-difluoro-N-[[5-[(S)-hydroxy(phenyl)methyl]thiophen-2-yl]methyl]benzamide has a molecular weight of 359.40 g/mol, XLogP of 4.04, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluoro-N-[[5-[(S)-hydroxy(phenyl)methyl]thiophen-2-yl]methyl]benzamide is sourced from PubChem (CID 99981817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).