3-methoxy-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-4-phenylmethoxybenzamide

C25H28N2O4S — CID 4883905

IUPAC3-methoxy-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-4-phenylmethoxybenzamide
SMILESCOc1cc(C(=O)NCC(c2cccs2)N2CCOCC2)ccc1OCc1ccccc1
InChIInChI=1S/C25H28N2O4S/c1-29-23-16-20(9-10-22(23)31-18-19-6-3-2-4-7-19)25(28)26-17-21(24-8-5-15-32-24)27-11-13-30-14-12-27/h2-10,15-16,21H,11-14,17-18H2,1H3,(H,26,28)
InChIKeyQIYKCDPNKNRIFP-UHFFFAOYSA-N
MW452.58 g/mol
LogP4.14
Rot. Bonds9

About 3-methoxy-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-4-phenylmethoxybenzamide

3-methoxy-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-4-phenylmethoxybenzamide (PubChem CID 4883905) has the molecular formula C25H28N2O4S and a molecular weight of 452.58 g/mol. Its IUPAC name is 3-methoxy-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-4-phenylmethoxybenzamide.

Molecular Properties

Compound Name3-methoxy-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-4-phenylmethoxybenzamide
PubChem CID4883905
Molecular FormulaC25H28N2O4S
Molecular Weight452.58 g/mol
Exact Mass452.18
IUPAC Name3-methoxy-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-4-phenylmethoxybenzamide
SMILESCOc1cc(C(=O)NCC(c2cccs2)N2CCOCC2)ccc1OCc1ccccc1
InChIInChI=1S/C25H28N2O4S/c1-29-23-16-20(9-10-22(23)31-18-19-6-3-2-4-7-19)25(28)26-17-21(24-8-5-15-32-24)27-11-13-30-14-12-27/h2-10,15-16,21H,11-14,17-18H2,1H3,(H,26,28)
InChIKeyQIYKCDPNKNRIFP-UHFFFAOYSA-N
XLogP4.14
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.58
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-methoxy-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-4-phenylmethoxybenzamide 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-methoxy-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-4-phenylmethoxybenzamide?
The IUPAC name of 3-methoxy-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-4-phenylmethoxybenzamide (CID 4883905) is 3-methoxy-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-4-phenylmethoxybenzamide.
What is the SMILES notation for 3-methoxy-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-4-phenylmethoxybenzamide?
The canonical SMILES for 3-methoxy-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-4-phenylmethoxybenzamide is COc1cc(C(=O)NCC(c2cccs2)N2CCOCC2)ccc1OCc1ccccc1.
What is the InChIKey of 3-methoxy-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-4-phenylmethoxybenzamide?
The InChIKey is QIYKCDPNKNRIFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O4S/c1-29-23-16-20(9-10-22(23)31-18-19-6-3-2-4-7-19)25(28)26-17-21(24-8-5-15-32-24)27-11-13-30-14-12-27/h2-10,15-16,21H,11-14,17-18H2,1H3,(H,26,28).
What are the key properties of 3-methoxy-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-4-phenylmethoxybenzamide?
3-methoxy-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-4-phenylmethoxybenzamide has a molecular weight of 452.58 g/mol, XLogP of 4.14, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-4-phenylmethoxybenzamide is sourced from PubChem (CID 4883905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).