N-[2-(4-ethoxyphenyl)ethyl]-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide

C25H28N2O3S — CID 20855298

IUPACN-[2-(4-ethoxyphenyl)ethyl]-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide
SMILESCCOc1ccc(CCNC(=O)c2cc(-c3ccccc3)c(N3CCOCC3)s2)cc1
InChIInChI=1S/C25H28N2O3S/c1-2-30-21-10-8-19(9-11-21)12-13-26-24(28)23-18-22(20-6-4-3-5-7-20)25(31-23)27-14-16-29-17-15-27/h3-11,18H,2,12-17H2,1H3,(H,26,28)
InChIKeyHIRPLHHOYTVWIU-UHFFFAOYSA-N
MW436.58 g/mol
LogP4.62
Rot. Bonds8

About N-[2-(4-ethoxyphenyl)ethyl]-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide

N-[2-(4-ethoxyphenyl)ethyl]-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide (PubChem CID 20855298) has the molecular formula C25H28N2O3S and a molecular weight of 436.58 g/mol. Its IUPAC name is N-[2-(4-ethoxyphenyl)ethyl]-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-ethoxyphenyl)ethyl]-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide
PubChem CID20855298
Molecular FormulaC25H28N2O3S
Molecular Weight436.58 g/mol
Exact Mass436.18
IUPAC NameN-[2-(4-ethoxyphenyl)ethyl]-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide
SMILESCCOc1ccc(CCNC(=O)c2cc(-c3ccccc3)c(N3CCOCC3)s2)cc1
InChIInChI=1S/C25H28N2O3S/c1-2-30-21-10-8-19(9-11-21)12-13-26-24(28)23-18-22(20-6-4-3-5-7-20)25(31-23)27-14-16-29-17-15-27/h3-11,18H,2,12-17H2,1H3,(H,26,28)
InChIKeyHIRPLHHOYTVWIU-UHFFFAOYSA-N
XLogP4.62
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.58
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-(4-ethoxyphenyl)ethyl]-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

N-(4-(4-(2-methoxyphenyl)piperazin-1-yl)butyl)benzo[b]thiophene-2-carboxamide
CID 9888555
5-[4-(2-Dimethylaminoethyloxy)phenyl]-2-Ureido-Thiophene-3-Carboxamide
CID 9902908
N-[5-ethyl-3-[(4-methoxyphenyl)-oxomethyl]-2-thiophenyl]-2-(4-methyl-1-piperazinyl)acetamide
CID 2814376
4-(Thiophen-3-yl)-N-(4-(4-(2-(2-fluoroethoxy)phenyl)piperazin-1-yl)butyl)benzamide oxalic acid salt
CID 51353989
N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-4-thiophen-3-ylbenzamide
CID 155560516
N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 24818172
5-(Morpholin-4-YL)-4-phenyl-N-[2-(2,3,4-trimethoxyphenyl)ethyl]thiophene-2-carboxamide
CID 20855296
N-[2-(3,4-Dimethoxyphenyl)ethyl]-5-(morpholin-4-YL)-4-phenylthiophene-2-carboxamide
CID 20855299
N-[2-(3,4-diethoxyphenyl)ethyl]-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide
CID 20855303
4-(4-Methoxy-phenyl)-thiophene-2-carboxylic acid (2-morpholin-4-yl-ethyl)-amide
CID 3649035
3-ThiophenecarboxaMide, 2-[(aMinocarbonyl)aMino]-5-[2-[2-[Methyl(phenylMethyl)aMino]ethoxy]phenyl]-
CID 9954114
1-(3-Carbamoyl-5-(4-(2-(piperidin-1-yl)ethoxy)phenyl)thiophen-2-yl)urea
CID 10221890

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethoxyphenyl)ethyl]-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide?
The IUPAC name of N-[2-(4-ethoxyphenyl)ethyl]-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide (CID 20855298) is N-[2-(4-ethoxyphenyl)ethyl]-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide.
What is the SMILES notation for N-[2-(4-ethoxyphenyl)ethyl]-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide?
The canonical SMILES for N-[2-(4-ethoxyphenyl)ethyl]-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide is CCOc1ccc(CCNC(=O)c2cc(-c3ccccc3)c(N3CCOCC3)s2)cc1.
What is the InChIKey of N-[2-(4-ethoxyphenyl)ethyl]-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide?
The InChIKey is HIRPLHHOYTVWIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O3S/c1-2-30-21-10-8-19(9-11-21)12-13-26-24(28)23-18-22(20-6-4-3-5-7-20)25(31-23)27-14-16-29-17-15-27/h3-11,18H,2,12-17H2,1H3,(H,26,28).
What are the key properties of N-[2-(4-ethoxyphenyl)ethyl]-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide?
N-[2-(4-ethoxyphenyl)ethyl]-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide has a molecular weight of 436.58 g/mol, XLogP of 4.62, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethoxyphenyl)ethyl]-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide is sourced from PubChem (CID 20855298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).