4-ethyl-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-5-methylthiophene-2-carboxamide

C21H28N2O3S — CID 25162675

IUPAC4-ethyl-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-5-methylthiophene-2-carboxamide
SMILESCCc1cc(C(=O)NCC(c2ccc(OC)cc2)N2CCOCC2)sc1C
InChIInChI=1S/C21H28N2O3S/c1-4-16-13-20(27-15(16)2)21(24)22-14-19(23-9-11-26-12-10-23)17-5-7-18(25-3)8-6-17/h5-8,13,19H,4,9-12,14H2,1-3H3,(H,22,24)
InChIKeyJBZXAMJPARIXKK-UHFFFAOYSA-N
MW388.53 g/mol
LogP3.43
Rot. Bonds7

About 4-ethyl-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-5-methylthiophene-2-carboxamide

4-ethyl-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-5-methylthiophene-2-carboxamide (PubChem CID 25162675) has the molecular formula C21H28N2O3S and a molecular weight of 388.53 g/mol. Its IUPAC name is 4-ethyl-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-5-methylthiophene-2-carboxamide.

Molecular Properties

Compound Name4-ethyl-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-5-methylthiophene-2-carboxamide
PubChem CID25162675
Molecular FormulaC21H28N2O3S
Molecular Weight388.53 g/mol
Exact Mass388.18
IUPAC Name4-ethyl-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-5-methylthiophene-2-carboxamide
SMILESCCc1cc(C(=O)NCC(c2ccc(OC)cc2)N2CCOCC2)sc1C
InChIInChI=1S/C21H28N2O3S/c1-4-16-13-20(27-15(16)2)21(24)22-14-19(23-9-11-26-12-10-23)17-5-7-18(25-3)8-6-17/h5-8,13,19H,4,9-12,14H2,1-3H3,(H,22,24)
InChIKeyJBZXAMJPARIXKK-UHFFFAOYSA-N
XLogP3.43
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.53
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-5-methylthiophene-2-carboxamide?
The IUPAC name of 4-ethyl-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-5-methylthiophene-2-carboxamide (CID 25162675) is 4-ethyl-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-5-methylthiophene-2-carboxamide.
What is the SMILES notation for 4-ethyl-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-5-methylthiophene-2-carboxamide?
The canonical SMILES for 4-ethyl-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-5-methylthiophene-2-carboxamide is CCc1cc(C(=O)NCC(c2ccc(OC)cc2)N2CCOCC2)sc1C.
What is the InChIKey of 4-ethyl-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-5-methylthiophene-2-carboxamide?
The InChIKey is JBZXAMJPARIXKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O3S/c1-4-16-13-20(27-15(16)2)21(24)22-14-19(23-9-11-26-12-10-23)17-5-7-18(25-3)8-6-17/h5-8,13,19H,4,9-12,14H2,1-3H3,(H,22,24).
What are the key properties of 4-ethyl-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-5-methylthiophene-2-carboxamide?
4-ethyl-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-5-methylthiophene-2-carboxamide has a molecular weight of 388.53 g/mol, XLogP of 3.43, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-5-methylthiophene-2-carboxamide is sourced from PubChem (CID 25162675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).