3-amino-2,6-difluoro-N-(2-methoxyethyl)-N-(thiolan-3-yl)benzamide

C14H18F2N2O2S — CID 79759087

IUPAC3-amino-2,6-difluoro-N-(2-methoxyethyl)-N-(thiolan-3-yl)benzamide
SMILESCOCCN(C(=O)c1c(F)ccc(N)c1F)C1CCSC1
InChIInChI=1S/C14H18F2N2O2S/c1-20-6-5-18(9-4-7-21-8-9)14(19)12-10(15)2-3-11(17)13(12)16/h2-3,9H,4-8,17H2,1H3
InChIKeyPXMYPAIDWVDIOF-UHFFFAOYSA-N
MW316.37 g/mol
LogP2.14
Rot. Bonds5

About 3-amino-2,6-difluoro-N-(2-methoxyethyl)-N-(thiolan-3-yl)benzamide

3-amino-2,6-difluoro-N-(2-methoxyethyl)-N-(thiolan-3-yl)benzamide (PubChem CID 79759087) has the molecular formula C14H18F2N2O2S and a molecular weight of 316.37 g/mol. Its IUPAC name is 3-amino-2,6-difluoro-N-(2-methoxyethyl)-N-(thiolan-3-yl)benzamide.

Molecular Properties

Compound Name3-amino-2,6-difluoro-N-(2-methoxyethyl)-N-(thiolan-3-yl)benzamide
PubChem CID79759087
Molecular FormulaC14H18F2N2O2S
Molecular Weight316.37 g/mol
Exact Mass316.11
IUPAC Name3-amino-2,6-difluoro-N-(2-methoxyethyl)-N-(thiolan-3-yl)benzamide
SMILESCOCCN(C(=O)c1c(F)ccc(N)c1F)C1CCSC1
InChIInChI=1S/C14H18F2N2O2S/c1-20-6-5-18(9-4-7-21-8-9)14(19)12-10(15)2-3-11(17)13(12)16/h2-3,9H,4-8,17H2,1H3
InChIKeyPXMYPAIDWVDIOF-UHFFFAOYSA-N
XLogP2.14
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.37
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-6-fluoro-N-(2-methoxyethyl)-N-(thiolan-3-yl)benzamide
CID 114559503
4-amino-N-(2-methoxyethyl)-3-methyl-N-(thiolan-3-yl)benzamide
CID 60945101
3-amino-N-(2-methoxyethyl)-2-methyl-N-(thiolan-3-yl)benzamide
CID 61106398
2-(2-aminophenyl)-N-(2-methoxyethyl)-N-(thiolan-3-yl)acetamide
CID 61106399
4-amino-N-(2-methoxyethyl)-1-methyl-N-(thiolan-3-yl)pyrrole-2-carboxamide
CID 61106233
3-amino-N-(2-methoxyethyl)-N-(thiolan-3-yl)-1H-pyrazole-5-carboxamide
CID 64523862
4-amino-1-ethyl-N-(2-methoxyethyl)-N-(thiolan-3-yl)pyrrole-2-carboxamide
CID 61106234
2,4-dibromo-N-(2-methoxyethyl)-N-(thiolan-3-yl)benzamide
CID 103883157
3-amino-2,6-difluoro-N-(2-methoxyethyl)-N-(2-methylpropyl)benzamide
CID 79773295
2-amino-2-cyclopropyl-N-(2-methoxyethyl)-N-(thiolan-3-yl)propanamide
CID 54871455
3-bromo-2-chloro-N-(2-methoxyethyl)-N-(thiolan-3-yl)benzamide
CID 103988564
2-amino-5-chloro-N-cyclopropyl-N-(2-methoxyethyl)benzamide
CID 61110797

Frequently Asked Questions

What is the IUPAC name of 3-amino-2,6-difluoro-N-(2-methoxyethyl)-N-(thiolan-3-yl)benzamide?
The IUPAC name of 3-amino-2,6-difluoro-N-(2-methoxyethyl)-N-(thiolan-3-yl)benzamide (CID 79759087) is 3-amino-2,6-difluoro-N-(2-methoxyethyl)-N-(thiolan-3-yl)benzamide.
What is the SMILES notation for 3-amino-2,6-difluoro-N-(2-methoxyethyl)-N-(thiolan-3-yl)benzamide?
The canonical SMILES for 3-amino-2,6-difluoro-N-(2-methoxyethyl)-N-(thiolan-3-yl)benzamide is COCCN(C(=O)c1c(F)ccc(N)c1F)C1CCSC1.
What is the InChIKey of 3-amino-2,6-difluoro-N-(2-methoxyethyl)-N-(thiolan-3-yl)benzamide?
The InChIKey is PXMYPAIDWVDIOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2N2O2S/c1-20-6-5-18(9-4-7-21-8-9)14(19)12-10(15)2-3-11(17)13(12)16/h2-3,9H,4-8,17H2,1H3.
What are the key properties of 3-amino-2,6-difluoro-N-(2-methoxyethyl)-N-(thiolan-3-yl)benzamide?
3-amino-2,6-difluoro-N-(2-methoxyethyl)-N-(thiolan-3-yl)benzamide has a molecular weight of 316.37 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2,6-difluoro-N-(2-methoxyethyl)-N-(thiolan-3-yl)benzamide is sourced from PubChem (CID 79759087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).