4-amino-3-methoxy-N-(thiolan-3-ylmethyl)benzamide

C13H18N2O2S — CID 107294730

IUPAC4-amino-3-methoxy-N-(thiolan-3-ylmethyl)benzamide
SMILESCOc1cc(C(=O)NCC2CCSC2)ccc1N
InChIInChI=1S/C13H18N2O2S/c1-17-12-6-10(2-3-11(12)14)13(16)15-7-9-4-5-18-8-9/h2-3,6,9H,4-5,7-8,14H2,1H3,(H,15,16)
InChIKeyPNRQLYAPURYOQX-UHFFFAOYSA-N
MW266.37 g/mol
LogP1.76
Rot. Bonds4

About 4-amino-3-methoxy-N-(thiolan-3-ylmethyl)benzamide

4-amino-3-methoxy-N-(thiolan-3-ylmethyl)benzamide (PubChem CID 107294730) has the molecular formula C13H18N2O2S and a molecular weight of 266.37 g/mol. Its IUPAC name is 4-amino-3-methoxy-N-(thiolan-3-ylmethyl)benzamide.

Molecular Properties

Compound Name4-amino-3-methoxy-N-(thiolan-3-ylmethyl)benzamide
PubChem CID107294730
Molecular FormulaC13H18N2O2S
Molecular Weight266.37 g/mol
Exact Mass266.11
IUPAC Name4-amino-3-methoxy-N-(thiolan-3-ylmethyl)benzamide
SMILESCOc1cc(C(=O)NCC2CCSC2)ccc1N
InChIInChI=1S/C13H18N2O2S/c1-17-12-6-10(2-3-11(12)14)13(16)15-7-9-4-5-18-8-9/h2-3,6,9H,4-5,7-8,14H2,1H3,(H,15,16)
InChIKeyPNRQLYAPURYOQX-UHFFFAOYSA-N
XLogP1.76
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-amino-3-methoxy-N-(thiolan-3-ylmethyl)benzamide 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

4-amino-3-methoxy-N-[(3-methylcyclopentyl)methyl]benzamide
CID 107411010
3-amino-N-(cyclopropylmethyl)-4-methoxybenzamide
CID 16788362
2-amino-N-(thiolan-3-ylmethyl)pyridine-4-carboxamide
CID 107298151
3-formyl-4-hydroxy-5-methoxy-N-(thiolan-3-ylmethyl)benzamide
CID 167924524
4-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-3-methoxybenzamide
CID 104782928
4-amino-N-(2,2-dicyclopropylethyl)-3-methoxybenzamide
CID 104783034
5-methoxy-N-[[(3S)-thiolan-3-yl]methyl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide
CID 100737677
4-amino-N-(2-cyclohexylethyl)-3-methoxybenzamide
CID 104782492
N-[(4-aminocyclohexyl)methyl]-3,4-dimethoxybenzamide
CID 106124772
4-amino-N-[(1,4-dimethylpiperazin-2-yl)methyl]-3-methoxybenzamide
CID 104782948
4-iodo-N-(thiolan-3-ylmethyl)benzamide
CID 107296392
2-oxo-N-(thiolan-3-ylmethyl)-1H-pyridine-4-carboxamide
CID 107342929

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-methoxy-N-(thiolan-3-ylmethyl)benzamide?
The IUPAC name of 4-amino-3-methoxy-N-(thiolan-3-ylmethyl)benzamide (CID 107294730) is 4-amino-3-methoxy-N-(thiolan-3-ylmethyl)benzamide.
What is the SMILES notation for 4-amino-3-methoxy-N-(thiolan-3-ylmethyl)benzamide?
The canonical SMILES for 4-amino-3-methoxy-N-(thiolan-3-ylmethyl)benzamide is COc1cc(C(=O)NCC2CCSC2)ccc1N.
What is the InChIKey of 4-amino-3-methoxy-N-(thiolan-3-ylmethyl)benzamide?
The InChIKey is PNRQLYAPURYOQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2S/c1-17-12-6-10(2-3-11(12)14)13(16)15-7-9-4-5-18-8-9/h2-3,6,9H,4-5,7-8,14H2,1H3,(H,15,16).
What are the key properties of 4-amino-3-methoxy-N-(thiolan-3-ylmethyl)benzamide?
4-amino-3-methoxy-N-(thiolan-3-ylmethyl)benzamide has a molecular weight of 266.37 g/mol, XLogP of 1.76, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-methoxy-N-(thiolan-3-ylmethyl)benzamide is sourced from PubChem (CID 107294730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).