3-amino-N-(2-methoxyethyl)-2-methyl-N-(thiolan-3-yl)benzamide

C15H22N2O2S — CID 61106398

IUPAC3-amino-N-(2-methoxyethyl)-2-methyl-N-(thiolan-3-yl)benzamide
SMILESCOCCN(C(=O)c1cccc(N)c1C)C1CCSC1
InChIInChI=1S/C15H22N2O2S/c1-11-13(4-3-5-14(11)16)15(18)17(7-8-19-2)12-6-9-20-10-12/h3-5,12H,6-10,16H2,1-2H3
InChIKeyQRIAGNGCQRLZMT-UHFFFAOYSA-N
MW294.42 g/mol
LogP2.17
Rot. Bonds5

About 3-amino-N-(2-methoxyethyl)-2-methyl-N-(thiolan-3-yl)benzamide

3-amino-N-(2-methoxyethyl)-2-methyl-N-(thiolan-3-yl)benzamide (PubChem CID 61106398) has the molecular formula C15H22N2O2S and a molecular weight of 294.42 g/mol. Its IUPAC name is 3-amino-N-(2-methoxyethyl)-2-methyl-N-(thiolan-3-yl)benzamide.

Molecular Properties

Compound Name3-amino-N-(2-methoxyethyl)-2-methyl-N-(thiolan-3-yl)benzamide
PubChem CID61106398
Molecular FormulaC15H22N2O2S
Molecular Weight294.42 g/mol
Exact Mass294.14
IUPAC Name3-amino-N-(2-methoxyethyl)-2-methyl-N-(thiolan-3-yl)benzamide
SMILESCOCCN(C(=O)c1cccc(N)c1C)C1CCSC1
InChIInChI=1S/C15H22N2O2S/c1-11-13(4-3-5-14(11)16)15(18)17(7-8-19-2)12-6-9-20-10-12/h3-5,12H,6-10,16H2,1-2H3
InChIKeyQRIAGNGCQRLZMT-UHFFFAOYSA-N
XLogP2.17
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-amino-N-(2-methoxyethyl)-2-methyl-N-(thiolan-3-yl)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

3-bromo-2-chloro-N-(2-methoxyethyl)-N-(thiolan-3-yl)benzamide
CID 103988564
4-amino-N-(2-methoxyethyl)-3-methyl-N-(thiolan-3-yl)benzamide
CID 60945101
2-(2-aminophenyl)-N-(2-methoxyethyl)-N-(thiolan-3-yl)acetamide
CID 61106399
3-amino-2,6-difluoro-N-(2-methoxyethyl)-N-(thiolan-3-yl)benzamide
CID 79759087
2,4-dibromo-N-(2-methoxyethyl)-N-(thiolan-3-yl)benzamide
CID 103883157
2-bromo-6-fluoro-N-(2-methoxyethyl)-N-(thiolan-3-yl)benzamide
CID 114559503
3-amino-N-cyclopentyl-N-(2-hydroxyethyl)-2-methylbenzamide
CID 61115530
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
N-cyclopropyl-2-hydroxy-N-(2-methoxyethyl)-3-methylbenzamide
CID 60794549
5-bromo-N-(2-methoxyethyl)-4-methyl-N-(thiolan-3-yl)thiophene-2-carboxamide
CID 79930252

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-methoxyethyl)-2-methyl-N-(thiolan-3-yl)benzamide?
The IUPAC name of 3-amino-N-(2-methoxyethyl)-2-methyl-N-(thiolan-3-yl)benzamide (CID 61106398) is 3-amino-N-(2-methoxyethyl)-2-methyl-N-(thiolan-3-yl)benzamide.
What is the SMILES notation for 3-amino-N-(2-methoxyethyl)-2-methyl-N-(thiolan-3-yl)benzamide?
The canonical SMILES for 3-amino-N-(2-methoxyethyl)-2-methyl-N-(thiolan-3-yl)benzamide is COCCN(C(=O)c1cccc(N)c1C)C1CCSC1.
What is the InChIKey of 3-amino-N-(2-methoxyethyl)-2-methyl-N-(thiolan-3-yl)benzamide?
The InChIKey is QRIAGNGCQRLZMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2S/c1-11-13(4-3-5-14(11)16)15(18)17(7-8-19-2)12-6-9-20-10-12/h3-5,12H,6-10,16H2,1-2H3.
What are the key properties of 3-amino-N-(2-methoxyethyl)-2-methyl-N-(thiolan-3-yl)benzamide?
3-amino-N-(2-methoxyethyl)-2-methyl-N-(thiolan-3-yl)benzamide has a molecular weight of 294.42 g/mol, XLogP of 2.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-methoxyethyl)-2-methyl-N-(thiolan-3-yl)benzamide is sourced from PubChem (CID 61106398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).