N-[4-[[3-ethoxy-4-(thiophen-2-ylmethoxy)phenyl]methylamino]phenyl]propanamide

C23H26N2O3S — CID 1017022

IUPACN-[4-[[3-ethoxy-4-(thiophen-2-ylmethoxy)phenyl]methylamino]phenyl]propanamide
SMILESCCOc1cc(CNc2ccc(NC(=O)CC)cc2)ccc1OCc1cccs1
InChIInChI=1S/C23H26N2O3S/c1-3-23(26)25-19-10-8-18(9-11-19)24-15-17-7-12-21(22(14-17)27-4-2)28-16-20-6-5-13-29-20/h5-14,24H,3-4,15-16H2,1-2H3,(H,25,26)
InChIKeyCRRGAOKORGOSCU-UHFFFAOYSA-N
MW410.54 g/mol
LogP5.69
Rot. Bonds10

About N-[4-[[3-ethoxy-4-(thiophen-2-ylmethoxy)phenyl]methylamino]phenyl]propanamide

N-[4-[[3-ethoxy-4-(thiophen-2-ylmethoxy)phenyl]methylamino]phenyl]propanamide (PubChem CID 1017022) has the molecular formula C23H26N2O3S and a molecular weight of 410.54 g/mol. Its IUPAC name is N-[4-[[3-ethoxy-4-(thiophen-2-ylmethoxy)phenyl]methylamino]phenyl]propanamide.

Molecular Properties

Compound NameN-[4-[[3-ethoxy-4-(thiophen-2-ylmethoxy)phenyl]methylamino]phenyl]propanamide
PubChem CID1017022
Molecular FormulaC23H26N2O3S
Molecular Weight410.54 g/mol
Exact Mass410.17
IUPAC NameN-[4-[[3-ethoxy-4-(thiophen-2-ylmethoxy)phenyl]methylamino]phenyl]propanamide
SMILESCCOc1cc(CNc2ccc(NC(=O)CC)cc2)ccc1OCc1cccs1
InChIInChI=1S/C23H26N2O3S/c1-3-23(26)25-19-10-8-18(9-11-19)24-15-17-7-12-21(22(14-17)27-4-2)28-16-20-6-5-13-29-20/h5-14,24H,3-4,15-16H2,1-2H3,(H,25,26)
InChIKeyCRRGAOKORGOSCU-UHFFFAOYSA-N
XLogP5.69
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.54
LogP ≤ 55.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[4-[[3-ethoxy-4-(thiophen-2-ylmethoxy)phenyl]methylamino]phenyl]propanamide 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-[4-[[3-ethoxy-4-(thiophen-2-ylmethoxy)phenyl]methylamino]phenyl]propanamide?
The IUPAC name of N-[4-[[3-ethoxy-4-(thiophen-2-ylmethoxy)phenyl]methylamino]phenyl]propanamide (CID 1017022) is N-[4-[[3-ethoxy-4-(thiophen-2-ylmethoxy)phenyl]methylamino]phenyl]propanamide.
What is the SMILES notation for N-[4-[[3-ethoxy-4-(thiophen-2-ylmethoxy)phenyl]methylamino]phenyl]propanamide?
The canonical SMILES for N-[4-[[3-ethoxy-4-(thiophen-2-ylmethoxy)phenyl]methylamino]phenyl]propanamide is CCOc1cc(CNc2ccc(NC(=O)CC)cc2)ccc1OCc1cccs1.
What is the InChIKey of N-[4-[[3-ethoxy-4-(thiophen-2-ylmethoxy)phenyl]methylamino]phenyl]propanamide?
The InChIKey is CRRGAOKORGOSCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O3S/c1-3-23(26)25-19-10-8-18(9-11-19)24-15-17-7-12-21(22(14-17)27-4-2)28-16-20-6-5-13-29-20/h5-14,24H,3-4,15-16H2,1-2H3,(H,25,26).
What are the key properties of N-[4-[[3-ethoxy-4-(thiophen-2-ylmethoxy)phenyl]methylamino]phenyl]propanamide?
N-[4-[[3-ethoxy-4-(thiophen-2-ylmethoxy)phenyl]methylamino]phenyl]propanamide has a molecular weight of 410.54 g/mol, XLogP of 5.69, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[3-ethoxy-4-(thiophen-2-ylmethoxy)phenyl]methylamino]phenyl]propanamide is sourced from PubChem (CID 1017022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).