4-morpholin-4-yl-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]benzamide

C21H21N3O2S — CID 91625684

IUPAC4-morpholin-4-yl-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]benzamide
SMILESO=C(NCc1ccnc(-c2ccsc2)c1)c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C21H21N3O2S/c25-21(17-1-3-19(4-2-17)24-8-10-26-11-9-24)23-14-16-5-7-22-20(13-16)18-6-12-27-15-18/h1-7,12-13,15H,8-11,14H2,(H,23,25)
InChIKeyJKUFVKHPVBVIOB-UHFFFAOYSA-N
MW379.49 g/mol
LogP3.58
Rot. Bonds5

About 4-morpholin-4-yl-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]benzamide

4-morpholin-4-yl-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]benzamide (PubChem CID 91625684) has the molecular formula C21H21N3O2S and a molecular weight of 379.49 g/mol. Its IUPAC name is 4-morpholin-4-yl-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]benzamide.

Molecular Properties

Compound Name4-morpholin-4-yl-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]benzamide
PubChem CID91625684
Molecular FormulaC21H21N3O2S
Molecular Weight379.49 g/mol
Exact Mass379.14
IUPAC Name4-morpholin-4-yl-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]benzamide
SMILESO=C(NCc1ccnc(-c2ccsc2)c1)c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C21H21N3O2S/c25-21(17-1-3-19(4-2-17)24-8-10-26-11-9-24)23-14-16-5-7-22-20(13-16)18-6-12-27-15-18/h1-7,12-13,15H,8-11,14H2,(H,23,25)
InChIKeyJKUFVKHPVBVIOB-UHFFFAOYSA-N
XLogP3.58
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.49
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-morpholin-4-yl-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]benzamide?
The IUPAC name of 4-morpholin-4-yl-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]benzamide (CID 91625684) is 4-morpholin-4-yl-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]benzamide.
What is the SMILES notation for 4-morpholin-4-yl-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]benzamide?
The canonical SMILES for 4-morpholin-4-yl-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]benzamide is O=C(NCc1ccnc(-c2ccsc2)c1)c1ccc(N2CCOCC2)cc1.
What is the InChIKey of 4-morpholin-4-yl-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]benzamide?
The InChIKey is JKUFVKHPVBVIOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O2S/c25-21(17-1-3-19(4-2-17)24-8-10-26-11-9-24)23-14-16-5-7-22-20(13-16)18-6-12-27-15-18/h1-7,12-13,15H,8-11,14H2,(H,23,25).
What are the key properties of 4-morpholin-4-yl-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]benzamide?
4-morpholin-4-yl-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]benzamide has a molecular weight of 379.49 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-morpholin-4-yl-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]benzamide is sourced from PubChem (CID 91625684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).