N-(2-amino-2-sulfanylideneethyl)-5-fluoro-N,2-dimethylbenzamide

C11H13FN2OS — CID 63049825

IUPACN-(2-amino-2-sulfanylideneethyl)-5-fluoro-N,2-dimethylbenzamide
SMILESCc1ccc(F)cc1C(=O)N(C)CC(N)=S
InChIInChI=1S/C11H13FN2OS/c1-7-3-4-8(12)5-9(7)11(15)14(2)6-10(13)16/h3-5H,6H2,1-2H3,(H2,13,16)
InChIKeyXVMMNKMFNYQILN-UHFFFAOYSA-N
MW240.30 g/mol
LogP1.49
Rot. Bonds3

About N-(2-amino-2-sulfanylideneethyl)-5-fluoro-N,2-dimethylbenzamide

N-(2-amino-2-sulfanylideneethyl)-5-fluoro-N,2-dimethylbenzamide (PubChem CID 63049825) has the molecular formula C11H13FN2OS and a molecular weight of 240.30 g/mol. Its IUPAC name is N-(2-amino-2-sulfanylideneethyl)-5-fluoro-N,2-dimethylbenzamide.

Molecular Properties

Compound NameN-(2-amino-2-sulfanylideneethyl)-5-fluoro-N,2-dimethylbenzamide
PubChem CID63049825
Molecular FormulaC11H13FN2OS
Molecular Weight240.30 g/mol
Exact Mass240.07
IUPAC NameN-(2-amino-2-sulfanylideneethyl)-5-fluoro-N,2-dimethylbenzamide
SMILESCc1ccc(F)cc1C(=O)N(C)CC(N)=S
InChIInChI=1S/C11H13FN2OS/c1-7-3-4-8(12)5-9(7)11(15)14(2)6-10(13)16/h3-5H,6H2,1-2H3,(H2,13,16)
InChIKeyXVMMNKMFNYQILN-UHFFFAOYSA-N
XLogP1.49
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-amino-2-sulfanylideneethyl)-N-ethyl-5-fluoro-2-methylbenzamide
CID 63049826
5-fluoro-N-(2-hydroxyethyl)-N,2-dimethylbenzamide
CID 60706402
N-[(2-aminophenyl)methyl]-5-fluoro-N,2-dimethylbenzamide
CID 62057041
N-[2-(2-bromoethoxy)ethyl]-5-fluoro-N,2-dimethylbenzamide
CID 114242810
N-(2-amino-2-oxoethyl)-5-bromo-N,2-dimethylbenzamide
CID 65307029
methyl 2-[(5-fluoro-2-methylbenzoyl)-(2-methoxy-2-oxoethyl)amino]acetate
CID 63047935
2-(2-carbamothioyl-4-fluoro-N-methylanilino)acetamide
CID 63672665
N-(2-amino-2-sulfanylideneethyl)-2,4-dibromo-N-methylbenzamide
CID 107938956
ethyl 2-[ethyl-(5-fluoro-2-methylbenzoyl)amino]acetate
CID 61073584
2-[(2,5-dimethylbenzoyl)-methylamino]acetic acid
CID 18071913
N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-5-fluoro-N,2-dimethylbenzamide
CID 77083511
N-ethyl-5-fluoro-N-(2-hydroxyethyl)-2-methylbenzamide
CID 60706405

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-sulfanylideneethyl)-5-fluoro-N,2-dimethylbenzamide?
The IUPAC name of N-(2-amino-2-sulfanylideneethyl)-5-fluoro-N,2-dimethylbenzamide (CID 63049825) is N-(2-amino-2-sulfanylideneethyl)-5-fluoro-N,2-dimethylbenzamide.
What is the SMILES notation for N-(2-amino-2-sulfanylideneethyl)-5-fluoro-N,2-dimethylbenzamide?
The canonical SMILES for N-(2-amino-2-sulfanylideneethyl)-5-fluoro-N,2-dimethylbenzamide is Cc1ccc(F)cc1C(=O)N(C)CC(N)=S.
What is the InChIKey of N-(2-amino-2-sulfanylideneethyl)-5-fluoro-N,2-dimethylbenzamide?
The InChIKey is XVMMNKMFNYQILN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2OS/c1-7-3-4-8(12)5-9(7)11(15)14(2)6-10(13)16/h3-5H,6H2,1-2H3,(H2,13,16).
What are the key properties of N-(2-amino-2-sulfanylideneethyl)-5-fluoro-N,2-dimethylbenzamide?
N-(2-amino-2-sulfanylideneethyl)-5-fluoro-N,2-dimethylbenzamide has a molecular weight of 240.30 g/mol, XLogP of 1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-sulfanylideneethyl)-5-fluoro-N,2-dimethylbenzamide is sourced from PubChem (CID 63049825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).