4-(4-hydroxyphenyl)sulfanyl-N-[(2-morpholin-4-ylphenyl)methyl]pentanamide

C22H28N2O3S — CID 91466295

IUPAC4-(4-hydroxyphenyl)sulfanyl-N-[(2-morpholin-4-ylphenyl)methyl]pentanamide
SMILESCC(CCC(=O)NCc1ccccc1N1CCOCC1)Sc1ccc(O)cc1
InChIInChI=1S/C22H28N2O3S/c1-17(28-20-9-7-19(25)8-10-20)6-11-22(26)23-16-18-4-2-3-5-21(18)24-12-14-27-15-13-24/h2-5,7-10,17,25H,6,11-16H2,1H3,(H,23,26)
InChIKeyXUPVLTCCALQTKR-UHFFFAOYSA-N
MW400.54 g/mol
LogP3.81
Rot. Bonds8

About 4-(4-hydroxyphenyl)sulfanyl-N-[(2-morpholin-4-ylphenyl)methyl]pentanamide

4-(4-hydroxyphenyl)sulfanyl-N-[(2-morpholin-4-ylphenyl)methyl]pentanamide (PubChem CID 91466295) has the molecular formula C22H28N2O3S and a molecular weight of 400.54 g/mol. Its IUPAC name is 4-(4-hydroxyphenyl)sulfanyl-N-[(2-morpholin-4-ylphenyl)methyl]pentanamide.

Molecular Properties

Compound Name4-(4-hydroxyphenyl)sulfanyl-N-[(2-morpholin-4-ylphenyl)methyl]pentanamide
PubChem CID91466295
Molecular FormulaC22H28N2O3S
Molecular Weight400.54 g/mol
Exact Mass400.18
IUPAC Name4-(4-hydroxyphenyl)sulfanyl-N-[(2-morpholin-4-ylphenyl)methyl]pentanamide
SMILESCC(CCC(=O)NCc1ccccc1N1CCOCC1)Sc1ccc(O)cc1
InChIInChI=1S/C22H28N2O3S/c1-17(28-20-9-7-19(25)8-10-20)6-11-22(26)23-16-18-4-2-3-5-21(18)24-12-14-27-15-13-24/h2-5,7-10,17,25H,6,11-16H2,1H3,(H,23,26)
InChIKeyXUPVLTCCALQTKR-UHFFFAOYSA-N
XLogP3.81
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.54
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-hydroxyphenyl)sulfanyl-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]pentanamide
CID 91042386
2-methyl-N-[(2-morpholin-4-ylphenyl)methyl]propanamide
CID 47400471
methyl 2-[2-[(2-morpholin-4-ylphenyl)methylamino]-2-oxoethyl]benzoate
CID 75440397
3-cyclopropyl-N-[(2-morpholin-4-ylphenyl)methyl]butanamide
CID 51096915
2,2,2-trifluoro-N-[(2-morpholin-4-ylphenyl)methyl]acetamide
CID 110443194
1-amino-N-[(2-morpholin-4-ylphenyl)methyl]cyclopentane-1-carboxamide
CID 119853759
2-(4-hydroxyphenyl)-N-[(1S)-1-(2-morpholin-4-ylphenyl)ethyl]acetamide
CID 97225853
N,N-dimethyl-3-[(2-morpholin-4-ylphenyl)methylamino]propanamide
CID 71933821
2-methyl-N-(2-morpholin-4-ylphenyl)propanamide
CID 2767049
1-amino-N-[(2-morpholin-4-ylphenyl)methyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119853786
2-[(3S)-3-methylpyrrolidin-1-yl]-N-[(2-morpholin-4-ylphenyl)methyl]-2-oxoacetamide
CID 100613829
N-[(2-morpholin-4-ylphenyl)methyl]pyrrolidine-2-carboxamide
CID 119853783

Frequently Asked Questions

What is the IUPAC name of 4-(4-hydroxyphenyl)sulfanyl-N-[(2-morpholin-4-ylphenyl)methyl]pentanamide?
The IUPAC name of 4-(4-hydroxyphenyl)sulfanyl-N-[(2-morpholin-4-ylphenyl)methyl]pentanamide (CID 91466295) is 4-(4-hydroxyphenyl)sulfanyl-N-[(2-morpholin-4-ylphenyl)methyl]pentanamide.
What is the SMILES notation for 4-(4-hydroxyphenyl)sulfanyl-N-[(2-morpholin-4-ylphenyl)methyl]pentanamide?
The canonical SMILES for 4-(4-hydroxyphenyl)sulfanyl-N-[(2-morpholin-4-ylphenyl)methyl]pentanamide is CC(CCC(=O)NCc1ccccc1N1CCOCC1)Sc1ccc(O)cc1.
What is the InChIKey of 4-(4-hydroxyphenyl)sulfanyl-N-[(2-morpholin-4-ylphenyl)methyl]pentanamide?
The InChIKey is XUPVLTCCALQTKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O3S/c1-17(28-20-9-7-19(25)8-10-20)6-11-22(26)23-16-18-4-2-3-5-21(18)24-12-14-27-15-13-24/h2-5,7-10,17,25H,6,11-16H2,1H3,(H,23,26).
What are the key properties of 4-(4-hydroxyphenyl)sulfanyl-N-[(2-morpholin-4-ylphenyl)methyl]pentanamide?
4-(4-hydroxyphenyl)sulfanyl-N-[(2-morpholin-4-ylphenyl)methyl]pentanamide has a molecular weight of 400.54 g/mol, XLogP of 3.81, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-hydroxyphenyl)sulfanyl-N-[(2-morpholin-4-ylphenyl)methyl]pentanamide is sourced from PubChem (CID 91466295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).