N-[5-ethyl-3-[(3-methoxyphenyl)-morpholin-4-ylmethyl]thiophen-2-yl]benzamide

C25H28N2O3S — CID 3542314

IUPACN-[5-ethyl-3-[(3-methoxyphenyl)-morpholin-4-ylmethyl]thiophen-2-yl]benzamide
SMILESCCc1cc(C(c2cccc(OC)c2)N2CCOCC2)c(NC(=O)c2ccccc2)s1
InChIInChI=1S/C25H28N2O3S/c1-3-21-17-22(25(31-21)26-24(28)18-8-5-4-6-9-18)23(27-12-14-30-15-13-27)19-10-7-11-20(16-19)29-2/h4-11,16-17,23H,3,12-15H2,1-2H3,(H,26,28)
InChIKeySIMSPAZRQXQDRW-UHFFFAOYSA-N
MW436.58 g/mol
LogP4.99
Rot. Bonds7

About N-[5-ethyl-3-[(3-methoxyphenyl)-morpholin-4-ylmethyl]thiophen-2-yl]benzamide

N-[5-ethyl-3-[(3-methoxyphenyl)-morpholin-4-ylmethyl]thiophen-2-yl]benzamide (PubChem CID 3542314) has the molecular formula C25H28N2O3S and a molecular weight of 436.58 g/mol. Its IUPAC name is N-[5-ethyl-3-[(3-methoxyphenyl)-morpholin-4-ylmethyl]thiophen-2-yl]benzamide.

Molecular Properties

Compound NameN-[5-ethyl-3-[(3-methoxyphenyl)-morpholin-4-ylmethyl]thiophen-2-yl]benzamide
PubChem CID3542314
Molecular FormulaC25H28N2O3S
Molecular Weight436.58 g/mol
Exact Mass436.18
IUPAC NameN-[5-ethyl-3-[(3-methoxyphenyl)-morpholin-4-ylmethyl]thiophen-2-yl]benzamide
SMILESCCc1cc(C(c2cccc(OC)c2)N2CCOCC2)c(NC(=O)c2ccccc2)s1
InChIInChI=1S/C25H28N2O3S/c1-3-21-17-22(25(31-21)26-24(28)18-8-5-4-6-9-18)23(27-12-14-30-15-13-27)19-10-7-11-20(16-19)29-2/h4-11,16-17,23H,3,12-15H2,1-2H3,(H,26,28)
InChIKeySIMSPAZRQXQDRW-UHFFFAOYSA-N
XLogP4.99
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.58
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[5-ethyl-3-[(3-methoxyphenyl)-morpholin-4-ylmethyl]thiophen-2-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

Frequently Asked Questions

What is the IUPAC name of N-[5-ethyl-3-[(3-methoxyphenyl)-morpholin-4-ylmethyl]thiophen-2-yl]benzamide?
The IUPAC name of N-[5-ethyl-3-[(3-methoxyphenyl)-morpholin-4-ylmethyl]thiophen-2-yl]benzamide (CID 3542314) is N-[5-ethyl-3-[(3-methoxyphenyl)-morpholin-4-ylmethyl]thiophen-2-yl]benzamide.
What is the SMILES notation for N-[5-ethyl-3-[(3-methoxyphenyl)-morpholin-4-ylmethyl]thiophen-2-yl]benzamide?
The canonical SMILES for N-[5-ethyl-3-[(3-methoxyphenyl)-morpholin-4-ylmethyl]thiophen-2-yl]benzamide is CCc1cc(C(c2cccc(OC)c2)N2CCOCC2)c(NC(=O)c2ccccc2)s1.
What is the InChIKey of N-[5-ethyl-3-[(3-methoxyphenyl)-morpholin-4-ylmethyl]thiophen-2-yl]benzamide?
The InChIKey is SIMSPAZRQXQDRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O3S/c1-3-21-17-22(25(31-21)26-24(28)18-8-5-4-6-9-18)23(27-12-14-30-15-13-27)19-10-7-11-20(16-19)29-2/h4-11,16-17,23H,3,12-15H2,1-2H3,(H,26,28).
What are the key properties of N-[5-ethyl-3-[(3-methoxyphenyl)-morpholin-4-ylmethyl]thiophen-2-yl]benzamide?
N-[5-ethyl-3-[(3-methoxyphenyl)-morpholin-4-ylmethyl]thiophen-2-yl]benzamide has a molecular weight of 436.58 g/mol, XLogP of 4.99, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-ethyl-3-[(3-methoxyphenyl)-morpholin-4-ylmethyl]thiophen-2-yl]benzamide is sourced from PubChem (CID 3542314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).