4-amino-3-(2,5-difluorophenyl)sulfanyl-N-methylbenzamide

C14H12F2N2OS — CID 63357200

IUPAC4-amino-3-(2,5-difluorophenyl)sulfanyl-N-methylbenzamide
SMILESCNC(=O)c1ccc(N)c(Sc2cc(F)ccc2F)c1
InChIInChI=1S/C14H12F2N2OS/c1-18-14(19)8-2-5-11(17)13(6-8)20-12-7-9(15)3-4-10(12)16/h2-7H,17H2,1H3,(H,18,19)
InChIKeyIEFWLSBCHKVMIK-UHFFFAOYSA-N
MW294.33 g/mol
LogP3.06
Rot. Bonds3

About 4-amino-3-(2,5-difluorophenyl)sulfanyl-N-methylbenzamide

4-amino-3-(2,5-difluorophenyl)sulfanyl-N-methylbenzamide (PubChem CID 63357200) has the molecular formula C14H12F2N2OS and a molecular weight of 294.33 g/mol. Its IUPAC name is 4-amino-3-(2,5-difluorophenyl)sulfanyl-N-methylbenzamide.

Molecular Properties

Compound Name4-amino-3-(2,5-difluorophenyl)sulfanyl-N-methylbenzamide
PubChem CID63357200
Molecular FormulaC14H12F2N2OS
Molecular Weight294.33 g/mol
Exact Mass294.06
IUPAC Name4-amino-3-(2,5-difluorophenyl)sulfanyl-N-methylbenzamide
SMILESCNC(=O)c1ccc(N)c(Sc2cc(F)ccc2F)c1
InChIInChI=1S/C14H12F2N2OS/c1-18-14(19)8-2-5-11(17)13(6-8)20-12-7-9(15)3-4-10(12)16/h2-7H,17H2,1H3,(H,18,19)
InChIKeyIEFWLSBCHKVMIK-UHFFFAOYSA-N
XLogP3.06
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl 4-amino-3-(2,5-difluorophenyl)sulfanylbenzoate
CID 82779803
4-amino-N-methyl-3-pyrimidin-4-ylsulfanylbenzamide
CID 63697796
4-amino-3-(4-methoxyphenyl)sulfanyl-N-methylbenzamide
CID 63357504
3-(2,4-difluorophenyl)sulfanyl-N-methyl-4-nitrobenzamide
CID 10471482
4-amino-N-methyl-3-(1,3-thiazol-2-ylsulfanyl)benzamide
CID 63357334
4-amino-3-(4-bromo-2,6-difluoroanilino)-N-methylbenzamide
CID 65468692
ethyl 2-[2-amino-5-(methylcarbamoyl)phenyl]sulfanylacetate
CID 63357249
4-amino-N-methyl-3-(1-methylimidazol-2-yl)sulfanylbenzamide
CID 63357331
2-(2,5-difluorophenyl)sulfanyl-5-fluoro-4-methylaniline
CID 103591356
4-amino-N-methyl-3-[(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]benzamide
CID 63357592
3-amino-4-(2-bromo-5-fluoroanilino)-N-methylbenzamide
CID 107634382
4-amino-3-[1-(4-fluorophenyl)ethylamino]-N-methylbenzamide
CID 63357131

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(2,5-difluorophenyl)sulfanyl-N-methylbenzamide?
The IUPAC name of 4-amino-3-(2,5-difluorophenyl)sulfanyl-N-methylbenzamide (CID 63357200) is 4-amino-3-(2,5-difluorophenyl)sulfanyl-N-methylbenzamide.
What is the SMILES notation for 4-amino-3-(2,5-difluorophenyl)sulfanyl-N-methylbenzamide?
The canonical SMILES for 4-amino-3-(2,5-difluorophenyl)sulfanyl-N-methylbenzamide is CNC(=O)c1ccc(N)c(Sc2cc(F)ccc2F)c1.
What is the InChIKey of 4-amino-3-(2,5-difluorophenyl)sulfanyl-N-methylbenzamide?
The InChIKey is IEFWLSBCHKVMIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F2N2OS/c1-18-14(19)8-2-5-11(17)13(6-8)20-12-7-9(15)3-4-10(12)16/h2-7H,17H2,1H3,(H,18,19).
What are the key properties of 4-amino-3-(2,5-difluorophenyl)sulfanyl-N-methylbenzamide?
4-amino-3-(2,5-difluorophenyl)sulfanyl-N-methylbenzamide has a molecular weight of 294.33 g/mol, XLogP of 3.06, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-(2,5-difluorophenyl)sulfanyl-N-methylbenzamide is sourced from PubChem (CID 63357200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).