N-[2-(3,4-diethoxyphenyl)ethyl]-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide

C27H32N2O4S — CID 20855303

IUPACN-[2-(3,4-diethoxyphenyl)ethyl]-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide
SMILESCCOc1ccc(CCNC(=O)c2cc(-c3ccccc3)c(N3CCOCC3)s2)cc1OCC
InChIInChI=1S/C27H32N2O4S/c1-3-32-23-11-10-20(18-24(23)33-4-2)12-13-28-26(30)25-19-22(21-8-6-5-7-9-21)27(34-25)29-14-16-31-17-15-29/h5-11,18-19H,3-4,12-17H2,1-2H3,(H,28,30)
InChIKeyXJRACSVZNIKMPG-UHFFFAOYSA-N
MW480.63 g/mol
LogP5.02
Rot. Bonds10

About N-[2-(3,4-diethoxyphenyl)ethyl]-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide

N-[2-(3,4-diethoxyphenyl)ethyl]-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide (PubChem CID 20855303) has the molecular formula C27H32N2O4S and a molecular weight of 480.63 g/mol. Its IUPAC name is N-[2-(3,4-diethoxyphenyl)ethyl]-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(3,4-diethoxyphenyl)ethyl]-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide
PubChem CID20855303
Molecular FormulaC27H32N2O4S
Molecular Weight480.63 g/mol
Exact Mass480.21
IUPAC NameN-[2-(3,4-diethoxyphenyl)ethyl]-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide
SMILESCCOc1ccc(CCNC(=O)c2cc(-c3ccccc3)c(N3CCOCC3)s2)cc1OCC
InChIInChI=1S/C27H32N2O4S/c1-3-32-23-11-10-20(18-24(23)33-4-2)12-13-28-26(30)25-19-22(21-8-6-5-7-9-21)27(34-25)29-14-16-31-17-15-29/h5-11,18-19H,3-4,12-17H2,1-2H3,(H,28,30)
InChIKeyXJRACSVZNIKMPG-UHFFFAOYSA-N
XLogP5.02
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.63
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[2-(3,4-diethoxyphenyl)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

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
1-(5-(4-(2-(Diethylamino)ethoxy)phenyl)-3-(piperidin-4-ylcarbamoyl)thiophen-2-yl)urea
CID 11662575
(+/-)-1-(5-(3-(2-(Diethylamino)ethoxy)phenyl)-3-(piperidin-3-ylcarbamoyl)thiophen-2-yl)urea
CID 11676957
N-[(2H-1,3-Benzodioxol-5-YL)methyl]-5-(morpholin-4-YL)-4-phenylthiophene-2-carboxamide
CID 20854922
5-Benzyl-2-{[(3,4-diethoxyphenyl)acetyl]amino}-3-thiophenecarboxamide
CID 998792
N-[2-(N-[1-(3,4-dimethoxyphenyl)-2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-4-methylanilino)-2-oxoethyl]thiophene-2-carboxamide
CID 3215760
N-[2-(N-[1-(3,4-dimethoxyphenyl)-2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-4-ethoxyanilino)-2-oxoethyl]thiophene-2-carboxamide
CID 3215768
N-[3-[(3,4-dimethoxyphenyl)-morpholin-4-ylmethyl]-5-ethylthiophen-2-yl]benzamide
CID 3534612
N-{5-ethyl-3-[(3-methoxyphenyl)(4-morpholinyl)methyl]-2-thienyl}benzamide
CID 3542314
N-[3-[(4-ethoxyphenyl)-[4-(2-hydroxyethyl)-1-piperazinyl]methyl]-4,5-dimethyl-2-thiophenyl]benzamide
CID 4104913
N-(6-acetyl-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 4432211

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-diethoxyphenyl)ethyl]-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide?
The IUPAC name of N-[2-(3,4-diethoxyphenyl)ethyl]-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide (CID 20855303) is N-[2-(3,4-diethoxyphenyl)ethyl]-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide.
What is the SMILES notation for N-[2-(3,4-diethoxyphenyl)ethyl]-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide?
The canonical SMILES for N-[2-(3,4-diethoxyphenyl)ethyl]-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide is CCOc1ccc(CCNC(=O)c2cc(-c3ccccc3)c(N3CCOCC3)s2)cc1OCC.
What is the InChIKey of N-[2-(3,4-diethoxyphenyl)ethyl]-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide?
The InChIKey is XJRACSVZNIKMPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N2O4S/c1-3-32-23-11-10-20(18-24(23)33-4-2)12-13-28-26(30)25-19-22(21-8-6-5-7-9-21)27(34-25)29-14-16-31-17-15-29/h5-11,18-19H,3-4,12-17H2,1-2H3,(H,28,30).
What are the key properties of N-[2-(3,4-diethoxyphenyl)ethyl]-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide?
N-[2-(3,4-diethoxyphenyl)ethyl]-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide has a molecular weight of 480.63 g/mol, XLogP of 5.02, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-diethoxyphenyl)ethyl]-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide is sourced from PubChem (CID 20855303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).