N-(2-amino-2-sulfanylideneethyl)-3-bromo-N-cyclopentyl-2-fluorobenzamide

C14H16BrFN2OS — CID 107951244

IUPACN-(2-amino-2-sulfanylideneethyl)-3-bromo-N-cyclopentyl-2-fluorobenzamide
SMILESNC(=S)CN(C(=O)c1cccc(Br)c1F)C1CCCC1
InChIInChI=1S/C14H16BrFN2OS/c15-11-7-3-6-10(13(11)16)14(19)18(8-12(17)20)9-4-1-2-5-9/h3,6-7,9H,1-2,4-5,8H2,(H2,17,20)
InChIKeyJHSRHOZLDFENGO-UHFFFAOYSA-N
MW359.26 g/mol
LogP3.26
Rot. Bonds4

About N-(2-amino-2-sulfanylideneethyl)-3-bromo-N-cyclopentyl-2-fluorobenzamide

N-(2-amino-2-sulfanylideneethyl)-3-bromo-N-cyclopentyl-2-fluorobenzamide (PubChem CID 107951244) has the molecular formula C14H16BrFN2OS and a molecular weight of 359.26 g/mol. Its IUPAC name is N-(2-amino-2-sulfanylideneethyl)-3-bromo-N-cyclopentyl-2-fluorobenzamide.

Molecular Properties

Compound NameN-(2-amino-2-sulfanylideneethyl)-3-bromo-N-cyclopentyl-2-fluorobenzamide
PubChem CID107951244
Molecular FormulaC14H16BrFN2OS
Molecular Weight359.26 g/mol
Exact Mass358.02
IUPAC NameN-(2-amino-2-sulfanylideneethyl)-3-bromo-N-cyclopentyl-2-fluorobenzamide
SMILESNC(=S)CN(C(=O)c1cccc(Br)c1F)C1CCCC1
InChIInChI=1S/C14H16BrFN2OS/c15-11-7-3-6-10(13(11)16)14(19)18(8-12(17)20)9-4-1-2-5-9/h3,6-7,9H,1-2,4-5,8H2,(H2,17,20)
InChIKeyJHSRHOZLDFENGO-UHFFFAOYSA-N
XLogP3.26
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.26
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(2-amino-2-sulfanylideneethyl)-3-bromo-N-cyclopentyl-2-fluorobenzamide 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

3-bromo-N-cyclohexyl-2-fluoro-N-(2-hydroxyethyl)benzamide
CID 106547829
3-bromo-N-cyclopentyl-2-fluoro-N-(3-methylbutyl)benzamide
CID 107952814
N-(2-amino-2-hydroxyiminoethyl)-2-bromo-N-cyclopentylbenzamide
CID 77044705
N-[(2Z)-2-amino-2-hydroxyiminoethyl]-N-cyclopentyl-2-fluoro-3-methylbenzamide
CID 81479946
N-(2-amino-2-sulfanylideneethyl)-N-cyclopentyl-2,4,6-trifluorobenzamide
CID 65098586
3-bromo-2-fluoro-N-(2-hydroxyethyl)-N-(1-methylpiperidin-4-yl)benzamide
CID 107952170
N-(2-amino-2-hydroxyiminoethyl)-2-bromo-N-cyclopentyl-5-fluorobenzamide
CID 77038165
N-cyclopentyl-N-ethyl-2,3-difluorobenzamide
CID 55101771
N-(2-amino-2-sulfanylideneethyl)-2,5-dichloro-N-cyclopentylthiophene-3-carboxamide
CID 107961828
3-bromo-N-(2-carbamothioylcyclopentyl)-2-fluorobenzamide
CID 107951219
7-bicyclo[4.1.0]heptanyl-(3-bromo-2-fluorophenyl)methanone
CID 106647448
2-bromo-N-(2-chloroethyl)-N-cyclopentylbenzamide
CID 55187214

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-sulfanylideneethyl)-3-bromo-N-cyclopentyl-2-fluorobenzamide?
The IUPAC name of N-(2-amino-2-sulfanylideneethyl)-3-bromo-N-cyclopentyl-2-fluorobenzamide (CID 107951244) is N-(2-amino-2-sulfanylideneethyl)-3-bromo-N-cyclopentyl-2-fluorobenzamide.
What is the SMILES notation for N-(2-amino-2-sulfanylideneethyl)-3-bromo-N-cyclopentyl-2-fluorobenzamide?
The canonical SMILES for N-(2-amino-2-sulfanylideneethyl)-3-bromo-N-cyclopentyl-2-fluorobenzamide is NC(=S)CN(C(=O)c1cccc(Br)c1F)C1CCCC1.
What is the InChIKey of N-(2-amino-2-sulfanylideneethyl)-3-bromo-N-cyclopentyl-2-fluorobenzamide?
The InChIKey is JHSRHOZLDFENGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrFN2OS/c15-11-7-3-6-10(13(11)16)14(19)18(8-12(17)20)9-4-1-2-5-9/h3,6-7,9H,1-2,4-5,8H2,(H2,17,20).
What are the key properties of N-(2-amino-2-sulfanylideneethyl)-3-bromo-N-cyclopentyl-2-fluorobenzamide?
N-(2-amino-2-sulfanylideneethyl)-3-bromo-N-cyclopentyl-2-fluorobenzamide has a molecular weight of 359.26 g/mol, XLogP of 3.26, 4 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)-3-bromo-N-cyclopentyl-2-fluorobenzamide is sourced from PubChem (CID 107951244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).