N-(2,4-difluorophenyl)-2-[(S)-(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfinyl]acetamide

C14H14F2N2O3S — CID 95599370

IUPACN-(2,4-difluorophenyl)-2-[(S)-(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfinyl]acetamide
SMILESCc1noc(C)c1C[S@](=O)CC(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C14H14F2N2O3S/c1-8-11(9(2)21-18-8)6-22(20)7-14(19)17-13-4-3-10(15)5-12(13)16/h3-5H,6-7H2,1-2H3,(H,17,19)/t22-/m0/s1
InChIKeyHKVSZVVWPRJVJV-QFIPXVFZSA-N
MW328.34 g/mol
LogP2.46
Rot. Bonds5

About N-(2,4-difluorophenyl)-2-[(S)-(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfinyl]acetamide

N-(2,4-difluorophenyl)-2-[(S)-(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfinyl]acetamide (PubChem CID 95599370) has the molecular formula C14H14F2N2O3S and a molecular weight of 328.34 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-2-[(S)-(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfinyl]acetamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-2-[(S)-(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfinyl]acetamide
PubChem CID95599370
Molecular FormulaC14H14F2N2O3S
Molecular Weight328.34 g/mol
Exact Mass328.07
IUPAC NameN-(2,4-difluorophenyl)-2-[(S)-(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfinyl]acetamide
SMILESCc1noc(C)c1C[S@](=O)CC(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C14H14F2N2O3S/c1-8-11(9(2)21-18-8)6-22(20)7-14(19)17-13-4-3-10(15)5-12(13)16/h3-5H,6-7H2,1-2H3,(H,17,19)/t22-/m0/s1
InChIKeyHKVSZVVWPRJVJV-QFIPXVFZSA-N
XLogP2.46
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.34
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(2,4-difluorophenyl)-2-[(S)-(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfinyl]acetamide 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-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-fluoro-4-hydroxyphenyl)acetamide
CID 86787189
2-[(R)-(4-chlorophenyl)methylsulfinyl]-N-(2,4-difluorophenyl)acetamide
CID 95599619
N-(4-bromo-2-fluorophenyl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
CID 45495096
2-[2-(2,4-difluoroanilino)-2-oxoethyl]sulfinyl-N-(4-methoxyphenyl)acetamide
CID 24792559
N-(2,4-difluorophenyl)-4,5-dimethyl-1,2-oxazole-3-carboxamide
CID 17026519
4-[2-(2,4-difluoroanilino)-2-oxoethyl]sulfinyl-N,N-dimethylbutanamide
CID 75380083
4-[(2,4-difluorophenoxy)methyl]-N-(2,4-difluorophenyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 19483878
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfinyl]ethanamine
CID 58684565
2-(2,4-difluoroanilino)-N-(2,4-difluorophenyl)acetamide
CID 109011050
1-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-fluorobenzene-1,2-diamine
CID 79225192
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]acetamide
CID 27813023
N-(2,4-difluorophenyl)-5-methyl-4-[(2-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide
CID 19442939

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-2-[(S)-(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfinyl]acetamide?
The IUPAC name of N-(2,4-difluorophenyl)-2-[(S)-(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfinyl]acetamide (CID 95599370) is N-(2,4-difluorophenyl)-2-[(S)-(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfinyl]acetamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-2-[(S)-(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfinyl]acetamide?
The canonical SMILES for N-(2,4-difluorophenyl)-2-[(S)-(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfinyl]acetamide is Cc1noc(C)c1C[S@](=O)CC(=O)Nc1ccc(F)cc1F.
What is the InChIKey of N-(2,4-difluorophenyl)-2-[(S)-(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfinyl]acetamide?
The InChIKey is HKVSZVVWPRJVJV-QFIPXVFZSA-N. The full InChI is InChI=1S/C14H14F2N2O3S/c1-8-11(9(2)21-18-8)6-22(20)7-14(19)17-13-4-3-10(15)5-12(13)16/h3-5H,6-7H2,1-2H3,(H,17,19)/t22-/m0/s1.
What are the key properties of N-(2,4-difluorophenyl)-2-[(S)-(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfinyl]acetamide?
N-(2,4-difluorophenyl)-2-[(S)-(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfinyl]acetamide has a molecular weight of 328.34 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-2-[(S)-(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfinyl]acetamide is sourced from PubChem (CID 95599370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).