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

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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).