N-[(3S,4R)-4-ethoxyoxolan-3-yl]-4-[(3-methylthiophen-2-yl)methylamino]benzamide

C19H24N2O3S — CID 50968874

IUPACN-[(3S,4R)-4-ethoxyoxolan-3-yl]-4-[(3-methylthiophen-2-yl)methylamino]benzamide
SMILESCCO[C@H]1COC[C@@H]1NC(=O)c1ccc(NCc2sccc2C)cc1
InChIInChI=1S/C19H24N2O3S/c1-3-24-17-12-23-11-16(17)21-19(22)14-4-6-15(7-5-14)20-10-18-13(2)8-9-25-18/h4-9,16-17,20H,3,10-12H2,1-2H3,(H,21,22)/t16-,17-/m0/s1
InChIKeyOKVVUVBMJLYPGE-IRXDYDNUSA-N
MW360.48 g/mol
LogP3.20
Rot. Bonds7

About N-[(3S,4R)-4-ethoxyoxolan-3-yl]-4-[(3-methylthiophen-2-yl)methylamino]benzamide

N-[(3S,4R)-4-ethoxyoxolan-3-yl]-4-[(3-methylthiophen-2-yl)methylamino]benzamide (PubChem CID 50968874) has the molecular formula C19H24N2O3S and a molecular weight of 360.48 g/mol. Its IUPAC name is N-[(3S,4R)-4-ethoxyoxolan-3-yl]-4-[(3-methylthiophen-2-yl)methylamino]benzamide.

Molecular Properties

Compound NameN-[(3S,4R)-4-ethoxyoxolan-3-yl]-4-[(3-methylthiophen-2-yl)methylamino]benzamide
PubChem CID50968874
Molecular FormulaC19H24N2O3S
Molecular Weight360.48 g/mol
Exact Mass360.15
IUPAC NameN-[(3S,4R)-4-ethoxyoxolan-3-yl]-4-[(3-methylthiophen-2-yl)methylamino]benzamide
SMILESCCO[C@H]1COC[C@@H]1NC(=O)c1ccc(NCc2sccc2C)cc1
InChIInChI=1S/C19H24N2O3S/c1-3-24-17-12-23-11-16(17)21-19(22)14-4-6-15(7-5-14)20-10-18-13(2)8-9-25-18/h4-9,16-17,20H,3,10-12H2,1-2H3,(H,21,22)/t16-,17-/m0/s1
InChIKeyOKVVUVBMJLYPGE-IRXDYDNUSA-N
XLogP3.20
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(3S,4R)-4-ethoxyoxolan-3-yl]-4-[(3-methylthiophen-2-yl)methylamino]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R)-4-ethoxyoxolan-3-yl]-4-[(3-methylthiophen-2-yl)methylamino]benzamide?
The IUPAC name of N-[(3S,4R)-4-ethoxyoxolan-3-yl]-4-[(3-methylthiophen-2-yl)methylamino]benzamide (CID 50968874) is N-[(3S,4R)-4-ethoxyoxolan-3-yl]-4-[(3-methylthiophen-2-yl)methylamino]benzamide.
What is the SMILES notation for N-[(3S,4R)-4-ethoxyoxolan-3-yl]-4-[(3-methylthiophen-2-yl)methylamino]benzamide?
The canonical SMILES for N-[(3S,4R)-4-ethoxyoxolan-3-yl]-4-[(3-methylthiophen-2-yl)methylamino]benzamide is CCO[C@H]1COC[C@@H]1NC(=O)c1ccc(NCc2sccc2C)cc1.
What is the InChIKey of N-[(3S,4R)-4-ethoxyoxolan-3-yl]-4-[(3-methylthiophen-2-yl)methylamino]benzamide?
The InChIKey is OKVVUVBMJLYPGE-IRXDYDNUSA-N. The full InChI is InChI=1S/C19H24N2O3S/c1-3-24-17-12-23-11-16(17)21-19(22)14-4-6-15(7-5-14)20-10-18-13(2)8-9-25-18/h4-9,16-17,20H,3,10-12H2,1-2H3,(H,21,22)/t16-,17-/m0/s1.
What are the key properties of N-[(3S,4R)-4-ethoxyoxolan-3-yl]-4-[(3-methylthiophen-2-yl)methylamino]benzamide?
N-[(3S,4R)-4-ethoxyoxolan-3-yl]-4-[(3-methylthiophen-2-yl)methylamino]benzamide has a molecular weight of 360.48 g/mol, XLogP of 3.20, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R)-4-ethoxyoxolan-3-yl]-4-[(3-methylthiophen-2-yl)methylamino]benzamide is sourced from PubChem (CID 50968874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).