N-(3-amino-3-sulfanylidenepropyl)-5-chloro-N-ethyl-2-hydroxybenzamide

C12H15ClN2O2S — CID 54988318

IUPACN-(3-amino-3-sulfanylidenepropyl)-5-chloro-N-ethyl-2-hydroxybenzamide
SMILESCCN(CCC(N)=S)C(=O)c1cc(Cl)ccc1O
InChIInChI=1S/C12H15ClN2O2S/c1-2-15(6-5-11(14)18)12(17)9-7-8(13)3-4-10(9)16/h3-4,7,16H,2,5-6H2,1H3,(H2,14,18)
InChIKeyUPFBXYJGNHTZSO-UHFFFAOYSA-N
MW286.78 g/mol
LogP2.18
Rot. Bonds5

About N-(3-amino-3-sulfanylidenepropyl)-5-chloro-N-ethyl-2-hydroxybenzamide

N-(3-amino-3-sulfanylidenepropyl)-5-chloro-N-ethyl-2-hydroxybenzamide (PubChem CID 54988318) has the molecular formula C12H15ClN2O2S and a molecular weight of 286.78 g/mol. Its IUPAC name is N-(3-amino-3-sulfanylidenepropyl)-5-chloro-N-ethyl-2-hydroxybenzamide.

Molecular Properties

Compound NameN-(3-amino-3-sulfanylidenepropyl)-5-chloro-N-ethyl-2-hydroxybenzamide
PubChem CID54988318
Molecular FormulaC12H15ClN2O2S
Molecular Weight286.78 g/mol
Exact Mass286.05
IUPAC NameN-(3-amino-3-sulfanylidenepropyl)-5-chloro-N-ethyl-2-hydroxybenzamide
SMILESCCN(CCC(N)=S)C(=O)c1cc(Cl)ccc1O
InChIInChI=1S/C12H15ClN2O2S/c1-2-15(6-5-11(14)18)12(17)9-7-8(13)3-4-10(9)16/h3-4,7,16H,2,5-6H2,1H3,(H2,14,18)
InChIKeyUPFBXYJGNHTZSO-UHFFFAOYSA-N
XLogP2.18
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.78
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(3-amino-3-sulfanylidenepropyl)-5-chloro-N-ethyl-2-hydroxybenzamide 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

N-(3-amino-3-sulfanylidenepropyl)-N-ethyl-5-fluoro-2-hydroxybenzamide
CID 113281569
5-chloro-N-(2-chloroethyl)-N-ethyl-2-hydroxybenzamide
CID 63394967
5-chloro-N-[3-(diethylamino)propyl]-N-ethyl-2-hydroxybenzamide
CID 102993943
N-(3-amino-3-sulfanylidenepropyl)-4-bromo-2-chloro-N-ethylbenzamide
CID 54988663
N-(3-amino-3-sulfanylidenepropyl)-2-chloro-N-ethylfuran-3-carboxamide
CID 106684907
5-chloro-N-[2-(dimethylamino)-2-oxoethyl]-N-ethyl-2-hydroxybenzamide
CID 47298057
N-[(3Z)-3-amino-3-hydroxyiminopropyl]-5-chloro-N-ethyl-2-fluorobenzamide
CID 54992948
N-(3-amino-3-sulfanylidenepropyl)-3-chloro-N-ethylpyridine-4-carboxamide
CID 66464783
3-[(2-bromo-5-chlorobenzoyl)-ethylamino]propanoic acid
CID 75516401
N-(3-amino-3-sulfanylidenepropyl)-N-ethyl-2,6-difluoro-3-methylbenzamide
CID 82815244
5-chloro-N-[2-(dimethylamino)ethyl]-2-hydroxy-N-methylbenzamide
CID 63700387
N-(3-amino-3-sulfanylidenepropyl)-2-bromo-N-ethylfuran-3-carboxamide
CID 106852180

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-sulfanylidenepropyl)-5-chloro-N-ethyl-2-hydroxybenzamide?
The IUPAC name of N-(3-amino-3-sulfanylidenepropyl)-5-chloro-N-ethyl-2-hydroxybenzamide (CID 54988318) is N-(3-amino-3-sulfanylidenepropyl)-5-chloro-N-ethyl-2-hydroxybenzamide.
What is the SMILES notation for N-(3-amino-3-sulfanylidenepropyl)-5-chloro-N-ethyl-2-hydroxybenzamide?
The canonical SMILES for N-(3-amino-3-sulfanylidenepropyl)-5-chloro-N-ethyl-2-hydroxybenzamide is CCN(CCC(N)=S)C(=O)c1cc(Cl)ccc1O.
What is the InChIKey of N-(3-amino-3-sulfanylidenepropyl)-5-chloro-N-ethyl-2-hydroxybenzamide?
The InChIKey is UPFBXYJGNHTZSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O2S/c1-2-15(6-5-11(14)18)12(17)9-7-8(13)3-4-10(9)16/h3-4,7,16H,2,5-6H2,1H3,(H2,14,18).
What are the key properties of N-(3-amino-3-sulfanylidenepropyl)-5-chloro-N-ethyl-2-hydroxybenzamide?
N-(3-amino-3-sulfanylidenepropyl)-5-chloro-N-ethyl-2-hydroxybenzamide has a molecular weight of 286.78 g/mol, XLogP of 2.18, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-3-sulfanylidenepropyl)-5-chloro-N-ethyl-2-hydroxybenzamide is sourced from PubChem (CID 54988318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).