4-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)thiophene-2-carboxamide

C18H22N2O3S — CID 3649035

IUPAC4-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)thiophene-2-carboxamide
SMILESCOc1ccc(-c2csc(C(=O)NCCN3CCOCC3)c2)cc1
InChIInChI=1S/C18H22N2O3S/c1-22-16-4-2-14(3-5-16)15-12-17(24-13-15)18(21)19-6-7-20-8-10-23-11-9-20/h2-5,12-13H,6-11H2,1H3,(H,19,21)
InChIKeyVWGKXDUPRHRCAO-UHFFFAOYSA-N
MW346.45 g/mol
LogP2.49
Rot. Bonds6

About 4-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)thiophene-2-carboxamide

4-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)thiophene-2-carboxamide (PubChem CID 3649035) has the molecular formula C18H22N2O3S and a molecular weight of 346.45 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)thiophene-2-carboxamide
PubChem CID3649035
Molecular FormulaC18H22N2O3S
Molecular Weight346.45 g/mol
Exact Mass346.14
IUPAC Name4-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)thiophene-2-carboxamide
SMILESCOc1ccc(-c2csc(C(=O)NCCN3CCOCC3)c2)cc1
InChIInChI=1S/C18H22N2O3S/c1-22-16-4-2-14(3-5-16)15-12-17(24-13-15)18(21)19-6-7-20-8-10-23-11-9-20/h2-5,12-13H,6-11H2,1H3,(H,19,21)
InChIKeyVWGKXDUPRHRCAO-UHFFFAOYSA-N
XLogP2.49
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)thiophene-2-carboxamide?
The IUPAC name of 4-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)thiophene-2-carboxamide (CID 3649035) is 4-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)thiophene-2-carboxamide.
What is the SMILES notation for 4-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)thiophene-2-carboxamide?
The canonical SMILES for 4-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)thiophene-2-carboxamide is COc1ccc(-c2csc(C(=O)NCCN3CCOCC3)c2)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)thiophene-2-carboxamide?
The InChIKey is VWGKXDUPRHRCAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3S/c1-22-16-4-2-14(3-5-16)15-12-17(24-13-15)18(21)19-6-7-20-8-10-23-11-9-20/h2-5,12-13H,6-11H2,1H3,(H,19,21).
What are the key properties of 4-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)thiophene-2-carboxamide?
4-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)thiophene-2-carboxamide has a molecular weight of 346.45 g/mol, XLogP of 2.49, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)thiophene-2-carboxamide is sourced from PubChem (CID 3649035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).