5-(6-morpholin-4-yl-3-pyridinyl)-N-(4-phenoxyphenyl)thiophene-2-carboxamide

C26H23N3O3S — CID 117093749

IUPAC5-(6-morpholin-4-yl-3-pyridinyl)-N-(4-phenoxyphenyl)thiophene-2-carboxamide
SMILESO=C(Nc1ccc(Oc2ccccc2)cc1)c1ccc(-c2ccc(N3CCOCC3)nc2)s1
InChIInChI=1S/C26H23N3O3S/c30-26(28-20-7-9-22(10-8-20)32-21-4-2-1-3-5-21)24-12-11-23(33-24)19-6-13-25(27-18-19)29-14-16-31-17-15-29/h1-13,18H,14-17H2,(H,28,30)
InChIKeyVXRFBWYDMNYVRU-UHFFFAOYSA-N
MW457.56 g/mol
LogP5.69
Rot. Bonds6

About 5-(6-morpholin-4-yl-3-pyridinyl)-N-(4-phenoxyphenyl)thiophene-2-carboxamide

5-(6-morpholin-4-yl-3-pyridinyl)-N-(4-phenoxyphenyl)thiophene-2-carboxamide (PubChem CID 117093749) has the molecular formula C26H23N3O3S and a molecular weight of 457.56 g/mol. Its IUPAC name is 5-(6-morpholin-4-yl-3-pyridinyl)-N-(4-phenoxyphenyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-(6-morpholin-4-yl-3-pyridinyl)-N-(4-phenoxyphenyl)thiophene-2-carboxamide
PubChem CID117093749
Molecular FormulaC26H23N3O3S
Molecular Weight457.56 g/mol
Exact Mass457.15
IUPAC Name5-(6-morpholin-4-yl-3-pyridinyl)-N-(4-phenoxyphenyl)thiophene-2-carboxamide
SMILESO=C(Nc1ccc(Oc2ccccc2)cc1)c1ccc(-c2ccc(N3CCOCC3)nc2)s1
InChIInChI=1S/C26H23N3O3S/c30-26(28-20-7-9-22(10-8-20)32-21-4-2-1-3-5-21)24-12-11-23(33-24)19-6-13-25(27-18-19)29-14-16-31-17-15-29/h1-13,18H,14-17H2,(H,28,30)
InChIKeyVXRFBWYDMNYVRU-UHFFFAOYSA-N
XLogP5.69
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.56
LogP ≤ 55.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(6-morpholin-4-yl-3-pyridinyl)-N-(4-phenoxyphenyl)thiophene-2-carboxamide?
The IUPAC name of 5-(6-morpholin-4-yl-3-pyridinyl)-N-(4-phenoxyphenyl)thiophene-2-carboxamide (CID 117093749) is 5-(6-morpholin-4-yl-3-pyridinyl)-N-(4-phenoxyphenyl)thiophene-2-carboxamide.
What is the SMILES notation for 5-(6-morpholin-4-yl-3-pyridinyl)-N-(4-phenoxyphenyl)thiophene-2-carboxamide?
The canonical SMILES for 5-(6-morpholin-4-yl-3-pyridinyl)-N-(4-phenoxyphenyl)thiophene-2-carboxamide is O=C(Nc1ccc(Oc2ccccc2)cc1)c1ccc(-c2ccc(N3CCOCC3)nc2)s1.
What is the InChIKey of 5-(6-morpholin-4-yl-3-pyridinyl)-N-(4-phenoxyphenyl)thiophene-2-carboxamide?
The InChIKey is VXRFBWYDMNYVRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N3O3S/c30-26(28-20-7-9-22(10-8-20)32-21-4-2-1-3-5-21)24-12-11-23(33-24)19-6-13-25(27-18-19)29-14-16-31-17-15-29/h1-13,18H,14-17H2,(H,28,30).
What are the key properties of 5-(6-morpholin-4-yl-3-pyridinyl)-N-(4-phenoxyphenyl)thiophene-2-carboxamide?
5-(6-morpholin-4-yl-3-pyridinyl)-N-(4-phenoxyphenyl)thiophene-2-carboxamide has a molecular weight of 457.56 g/mol, XLogP of 5.69, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-morpholin-4-yl-3-pyridinyl)-N-(4-phenoxyphenyl)thiophene-2-carboxamide is sourced from PubChem (CID 117093749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).