4-(morpholin-4-ylmethyl)-N-[4-(phenylsulfanylmethyl)phenyl]benzamide

C25H26N2O2S — CID 1321013

IUPAC4-(morpholin-4-ylmethyl)-N-[4-(phenylsulfanylmethyl)phenyl]benzamide
SMILESO=C(Nc1ccc(CSc2ccccc2)cc1)c1ccc(CN2CCOCC2)cc1
InChIInChI=1S/C25H26N2O2S/c28-25(22-10-6-20(7-11-22)18-27-14-16-29-17-15-27)26-23-12-8-21(9-13-23)19-30-24-4-2-1-3-5-24/h1-13H,14-19H2,(H,26,28)
InChIKeyHODZVUNFLGXUQV-UHFFFAOYSA-N
MW418.56 g/mol
LogP5.06
Rot. Bonds7

About 4-(morpholin-4-ylmethyl)-N-[4-(phenylsulfanylmethyl)phenyl]benzamide

4-(morpholin-4-ylmethyl)-N-[4-(phenylsulfanylmethyl)phenyl]benzamide (PubChem CID 1321013) has the molecular formula C25H26N2O2S and a molecular weight of 418.56 g/mol. Its IUPAC name is 4-(morpholin-4-ylmethyl)-N-[4-(phenylsulfanylmethyl)phenyl]benzamide.

Molecular Properties

Compound Name4-(morpholin-4-ylmethyl)-N-[4-(phenylsulfanylmethyl)phenyl]benzamide
PubChem CID1321013
Molecular FormulaC25H26N2O2S
Molecular Weight418.56 g/mol
Exact Mass418.17
IUPAC Name4-(morpholin-4-ylmethyl)-N-[4-(phenylsulfanylmethyl)phenyl]benzamide
SMILESO=C(Nc1ccc(CSc2ccccc2)cc1)c1ccc(CN2CCOCC2)cc1
InChIInChI=1S/C25H26N2O2S/c28-25(22-10-6-20(7-11-22)18-27-14-16-29-17-15-27)26-23-12-8-21(9-13-23)19-30-24-4-2-1-3-5-24/h1-13H,14-19H2,(H,26,28)
InChIKeyHODZVUNFLGXUQV-UHFFFAOYSA-N
XLogP5.06
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.56
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-{4-[(1,1-dioxo-1lambda~6~,4-thiazinan-4-yl)methyl]phenyl}benzamide
CID 2810635
4-(dimethylamino)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide
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4-(dimethylamino)-N-(3-phenylsulfanylpropyl)benzamide
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N-(4-Iodophenyl)-4-(morpholinomethyl)benzamide
CID 589919
N-(2,4-dimethylphenyl)-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide
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CID 122196547
CID 122196547
4-(morpholin-4-ylmethyl)-N-[4-(piperidin-1-ylsulfonyl)phenyl]benzamide
CID 1138680
4-ethylsulfanyl-N-[4-[(3S)-piperidin-3-yl]phenyl]benzamide
CID 67239683
N-[4-(4-morpholinylcarbonyl)phenyl]-2-thiophenecarboxamide
CID 653867
3-fluoro-N-[4-(morpholin-4-ylmethyl)phenyl]benzamide
CID 851469
2-fluoro-N-[4-(4-morpholinylmethyl)phenyl]benzamide
CID 961046
3-[(4-methylphenyl)sulfanyl]-N-[2-(4-morpholinylcarbonyl)phenyl]propanamide
CID 989330

Frequently Asked Questions

What is the IUPAC name of 4-(morpholin-4-ylmethyl)-N-[4-(phenylsulfanylmethyl)phenyl]benzamide?
The IUPAC name of 4-(morpholin-4-ylmethyl)-N-[4-(phenylsulfanylmethyl)phenyl]benzamide (CID 1321013) is 4-(morpholin-4-ylmethyl)-N-[4-(phenylsulfanylmethyl)phenyl]benzamide.
What is the SMILES notation for 4-(morpholin-4-ylmethyl)-N-[4-(phenylsulfanylmethyl)phenyl]benzamide?
The canonical SMILES for 4-(morpholin-4-ylmethyl)-N-[4-(phenylsulfanylmethyl)phenyl]benzamide is O=C(Nc1ccc(CSc2ccccc2)cc1)c1ccc(CN2CCOCC2)cc1.
What is the InChIKey of 4-(morpholin-4-ylmethyl)-N-[4-(phenylsulfanylmethyl)phenyl]benzamide?
The InChIKey is HODZVUNFLGXUQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O2S/c28-25(22-10-6-20(7-11-22)18-27-14-16-29-17-15-27)26-23-12-8-21(9-13-23)19-30-24-4-2-1-3-5-24/h1-13H,14-19H2,(H,26,28).
What are the key properties of 4-(morpholin-4-ylmethyl)-N-[4-(phenylsulfanylmethyl)phenyl]benzamide?
4-(morpholin-4-ylmethyl)-N-[4-(phenylsulfanylmethyl)phenyl]benzamide has a molecular weight of 418.56 g/mol, XLogP of 5.06, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(morpholin-4-ylmethyl)-N-[4-(phenylsulfanylmethyl)phenyl]benzamide is sourced from PubChem (CID 1321013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).