3,4,5-trimethoxy-N-[3-oxo-3-(thiophen-2-ylmethylamino)propyl]benzamide

C18H22N2O5S — CID 3539587

IUPAC3,4,5-trimethoxy-N-[3-oxo-3-(thiophen-2-ylmethylamino)propyl]benzamide
SMILESCOc1cc(C(=O)NCCC(=O)NCc2cccs2)cc(OC)c1OC
InChIInChI=1S/C18H22N2O5S/c1-23-14-9-12(10-15(24-2)17(14)25-3)18(22)19-7-6-16(21)20-11-13-5-4-8-26-13/h4-5,8-10H,6-7,11H2,1-3H3,(H,19,22)(H,20,21)
InChIKeyRMUGNWZZBSMJPF-UHFFFAOYSA-N
MW378.45 g/mol
LogP2.21
Rot. Bonds9

About 3,4,5-trimethoxy-N-[3-oxo-3-(thiophen-2-ylmethylamino)propyl]benzamide

3,4,5-trimethoxy-N-[3-oxo-3-(thiophen-2-ylmethylamino)propyl]benzamide (PubChem CID 3539587) has the molecular formula C18H22N2O5S and a molecular weight of 378.45 g/mol. Its IUPAC name is 3,4,5-trimethoxy-N-[3-oxo-3-(thiophen-2-ylmethylamino)propyl]benzamide.

Molecular Properties

Compound Name3,4,5-trimethoxy-N-[3-oxo-3-(thiophen-2-ylmethylamino)propyl]benzamide
PubChem CID3539587
Molecular FormulaC18H22N2O5S
Molecular Weight378.45 g/mol
Exact Mass378.12
IUPAC Name3,4,5-trimethoxy-N-[3-oxo-3-(thiophen-2-ylmethylamino)propyl]benzamide
SMILESCOc1cc(C(=O)NCCC(=O)NCc2cccs2)cc(OC)c1OC
InChIInChI=1S/C18H22N2O5S/c1-23-14-9-12(10-15(24-2)17(14)25-3)18(22)19-7-6-16(21)20-11-13-5-4-8-26-13/h4-5,8-10H,6-7,11H2,1-3H3,(H,19,22)(H,20,21)
InChIKeyRMUGNWZZBSMJPF-UHFFFAOYSA-N
XLogP2.21
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.45
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3,4,5-trimethoxy-N-[3-oxo-3-(thiophen-2-ylmethylamino)propyl]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 3,4,5-trimethoxy-N-[3-oxo-3-(thiophen-2-ylmethylamino)propyl]benzamide?
The IUPAC name of 3,4,5-trimethoxy-N-[3-oxo-3-(thiophen-2-ylmethylamino)propyl]benzamide (CID 3539587) is 3,4,5-trimethoxy-N-[3-oxo-3-(thiophen-2-ylmethylamino)propyl]benzamide.
What is the SMILES notation for 3,4,5-trimethoxy-N-[3-oxo-3-(thiophen-2-ylmethylamino)propyl]benzamide?
The canonical SMILES for 3,4,5-trimethoxy-N-[3-oxo-3-(thiophen-2-ylmethylamino)propyl]benzamide is COc1cc(C(=O)NCCC(=O)NCc2cccs2)cc(OC)c1OC.
What is the InChIKey of 3,4,5-trimethoxy-N-[3-oxo-3-(thiophen-2-ylmethylamino)propyl]benzamide?
The InChIKey is RMUGNWZZBSMJPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O5S/c1-23-14-9-12(10-15(24-2)17(14)25-3)18(22)19-7-6-16(21)20-11-13-5-4-8-26-13/h4-5,8-10H,6-7,11H2,1-3H3,(H,19,22)(H,20,21).
What are the key properties of 3,4,5-trimethoxy-N-[3-oxo-3-(thiophen-2-ylmethylamino)propyl]benzamide?
3,4,5-trimethoxy-N-[3-oxo-3-(thiophen-2-ylmethylamino)propyl]benzamide has a molecular weight of 378.45 g/mol, XLogP of 2.21, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trimethoxy-N-[3-oxo-3-(thiophen-2-ylmethylamino)propyl]benzamide is sourced from PubChem (CID 3539587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).