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

C23H30N2O2S — CID 10408590

IUPAC4-(4-cyclohexylphenyl)-N-(2-morpholin-4-ylethyl)thiophene-2-carboxamide
SMILESO=C(NCCN1CCOCC1)c1cc(-c2ccc(C3CCCCC3)cc2)cs1
InChIInChI=1S/C23H30N2O2S/c26-23(24-10-11-25-12-14-27-15-13-25)22-16-21(17-28-22)20-8-6-19(7-9-20)18-4-2-1-3-5-18/h6-9,16-18H,1-5,10-15H2,(H,24,26)
InChIKeyPIVZYWJQNLNVKU-UHFFFAOYSA-N
MW398.57 g/mol
LogP4.52
Rot. Bonds6

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

4-(4-cyclohexylphenyl)-N-(2-morpholin-4-ylethyl)thiophene-2-carboxamide (PubChem CID 10408590) has the molecular formula C23H30N2O2S and a molecular weight of 398.57 g/mol. Its IUPAC name is 4-(4-cyclohexylphenyl)-N-(2-morpholin-4-ylethyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name4-(4-cyclohexylphenyl)-N-(2-morpholin-4-ylethyl)thiophene-2-carboxamide
PubChem CID10408590
Molecular FormulaC23H30N2O2S
Molecular Weight398.57 g/mol
Exact Mass398.20
IUPAC Name4-(4-cyclohexylphenyl)-N-(2-morpholin-4-ylethyl)thiophene-2-carboxamide
SMILESO=C(NCCN1CCOCC1)c1cc(-c2ccc(C3CCCCC3)cc2)cs1
InChIInChI=1S/C23H30N2O2S/c26-23(24-10-11-25-12-14-27-15-13-25)22-16-21(17-28-22)20-8-6-19(7-9-20)18-4-2-1-3-5-18/h6-9,16-18H,1-5,10-15H2,(H,24,26)
InChIKeyPIVZYWJQNLNVKU-UHFFFAOYSA-N
XLogP4.52
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.57
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-cyclohexylphenyl)-N-(2-morpholin-4-ylethyl)thiophene-2-carboxamide?
The IUPAC name of 4-(4-cyclohexylphenyl)-N-(2-morpholin-4-ylethyl)thiophene-2-carboxamide (CID 10408590) is 4-(4-cyclohexylphenyl)-N-(2-morpholin-4-ylethyl)thiophene-2-carboxamide.
What is the SMILES notation for 4-(4-cyclohexylphenyl)-N-(2-morpholin-4-ylethyl)thiophene-2-carboxamide?
The canonical SMILES for 4-(4-cyclohexylphenyl)-N-(2-morpholin-4-ylethyl)thiophene-2-carboxamide is O=C(NCCN1CCOCC1)c1cc(-c2ccc(C3CCCCC3)cc2)cs1.
What is the InChIKey of 4-(4-cyclohexylphenyl)-N-(2-morpholin-4-ylethyl)thiophene-2-carboxamide?
The InChIKey is PIVZYWJQNLNVKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O2S/c26-23(24-10-11-25-12-14-27-15-13-25)22-16-21(17-28-22)20-8-6-19(7-9-20)18-4-2-1-3-5-18/h6-9,16-18H,1-5,10-15H2,(H,24,26).
What are the key properties of 4-(4-cyclohexylphenyl)-N-(2-morpholin-4-ylethyl)thiophene-2-carboxamide?
4-(4-cyclohexylphenyl)-N-(2-morpholin-4-ylethyl)thiophene-2-carboxamide has a molecular weight of 398.57 g/mol, XLogP of 4.52, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-cyclohexylphenyl)-N-(2-morpholin-4-ylethyl)thiophene-2-carboxamide is sourced from PubChem (CID 10408590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).