2,4-difluoro-5-[(5-methylthiolan-3-yl)amino]benzamide

C12H14F2N2OS — CID 79941342

IUPAC2,4-difluoro-5-[(5-methylthiolan-3-yl)amino]benzamide
SMILESCC1CC(Nc2cc(C(N)=O)c(F)cc2F)CS1
InChIInChI=1S/C12H14F2N2OS/c1-6-2-7(5-18-6)16-11-3-8(12(15)17)9(13)4-10(11)14/h3-4,6-7,16H,2,5H2,1H3,(H2,15,17)
InChIKeyXKWCQAJOQMFZFB-UHFFFAOYSA-N
MW272.32 g/mol
LogP2.37
Rot. Bonds3

About 2,4-difluoro-5-[(5-methylthiolan-3-yl)amino]benzamide

2,4-difluoro-5-[(5-methylthiolan-3-yl)amino]benzamide (PubChem CID 79941342) has the molecular formula C12H14F2N2OS and a molecular weight of 272.32 g/mol. Its IUPAC name is 2,4-difluoro-5-[(5-methylthiolan-3-yl)amino]benzamide.

Molecular Properties

Compound Name2,4-difluoro-5-[(5-methylthiolan-3-yl)amino]benzamide
PubChem CID79941342
Molecular FormulaC12H14F2N2OS
Molecular Weight272.32 g/mol
Exact Mass272.08
IUPAC Name2,4-difluoro-5-[(5-methylthiolan-3-yl)amino]benzamide
SMILESCC1CC(Nc2cc(C(N)=O)c(F)cc2F)CS1
InChIInChI=1S/C12H14F2N2OS/c1-6-2-7(5-18-6)16-11-3-8(12(15)17)9(13)4-10(11)14/h3-4,6-7,16H,2,5H2,1H3,(H2,15,17)
InChIKeyXKWCQAJOQMFZFB-UHFFFAOYSA-N
XLogP2.37
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.32
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(cyclohexylamino)-2,4-difluorobenzamide
CID 43673780
2,4-difluoro-5-[(2-methylthian-3-yl)amino]benzamide
CID 79956737
5-[(2,5-dimethylcyclohexyl)amino]-2,4-difluorobenzamide
CID 64761998
2,4-difluoro-5-[(3-methoxycyclohexyl)amino]benzamide
CID 106871627
2,4-difluoro-5-[(4-propylcyclohexyl)amino]benzamide
CID 43673699
2,4-difluoro-5-[(2-methyloxolan-3-yl)amino]benzamide
CID 82727285
N-[2-fluoro-5-[(5-methylthiolan-3-yl)amino]phenyl]acetamide
CID 79941370
5-methyl-N-(2,3,4-trifluorophenyl)thiolan-3-amine
CID 79941681
5-[(2,3-dimethylcyclohexyl)amino]-2,4-difluorobenzamide
CID 64761802
5-methyl-N-(3,4,5-trifluorophenyl)thiolan-3-amine
CID 79949375
N-(5-fluoro-2-methylphenyl)-5-methylthiolan-3-amine
CID 79942337
5-[(3-aminocyclobutyl)amino]-2,4-difluorobenzoic acid
CID 80560599

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-5-[(5-methylthiolan-3-yl)amino]benzamide?
The IUPAC name of 2,4-difluoro-5-[(5-methylthiolan-3-yl)amino]benzamide (CID 79941342) is 2,4-difluoro-5-[(5-methylthiolan-3-yl)amino]benzamide.
What is the SMILES notation for 2,4-difluoro-5-[(5-methylthiolan-3-yl)amino]benzamide?
The canonical SMILES for 2,4-difluoro-5-[(5-methylthiolan-3-yl)amino]benzamide is CC1CC(Nc2cc(C(N)=O)c(F)cc2F)CS1.
What is the InChIKey of 2,4-difluoro-5-[(5-methylthiolan-3-yl)amino]benzamide?
The InChIKey is XKWCQAJOQMFZFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2N2OS/c1-6-2-7(5-18-6)16-11-3-8(12(15)17)9(13)4-10(11)14/h3-4,6-7,16H,2,5H2,1H3,(H2,15,17).
What are the key properties of 2,4-difluoro-5-[(5-methylthiolan-3-yl)amino]benzamide?
2,4-difluoro-5-[(5-methylthiolan-3-yl)amino]benzamide has a molecular weight of 272.32 g/mol, XLogP of 2.37, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-5-[(5-methylthiolan-3-yl)amino]benzamide is sourced from PubChem (CID 79941342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).