2-benzylsulfanyl-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]propanamide

C22H28N2O2S — CID 86918572

IUPAC2-benzylsulfanyl-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]propanamide
SMILESCC(SCc1ccccc1)C(=O)NCc1ccc(CN2CCOCC2)cc1
InChIInChI=1S/C22H28N2O2S/c1-18(27-17-21-5-3-2-4-6-21)22(25)23-15-19-7-9-20(10-8-19)16-24-11-13-26-14-12-24/h2-10,18H,11-17H2,1H3,(H,23,25)
InChIKeyTZEQSNRVVNHYTR-UHFFFAOYSA-N
MW384.55 g/mol
LogP3.46
Rot. Bonds8

About 2-benzylsulfanyl-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]propanamide

2-benzylsulfanyl-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]propanamide (PubChem CID 86918572) has the molecular formula C22H28N2O2S and a molecular weight of 384.55 g/mol. Its IUPAC name is 2-benzylsulfanyl-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]propanamide.

Molecular Properties

Compound Name2-benzylsulfanyl-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]propanamide
PubChem CID86918572
Molecular FormulaC22H28N2O2S
Molecular Weight384.55 g/mol
Exact Mass384.19
IUPAC Name2-benzylsulfanyl-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]propanamide
SMILESCC(SCc1ccccc1)C(=O)NCc1ccc(CN2CCOCC2)cc1
InChIInChI=1S/C22H28N2O2S/c1-18(27-17-21-5-3-2-4-6-21)22(25)23-15-19-7-9-20(10-8-19)16-24-11-13-26-14-12-24/h2-10,18H,11-17H2,1H3,(H,23,25)
InChIKeyTZEQSNRVVNHYTR-UHFFFAOYSA-N
XLogP3.46
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.55
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-benzylsulfanyl-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]propanamide
CID 47046949
2-(4-methylphenyl)sulfanyl-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]propanamide
CID 133206073
2-benzylsulfanyl-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]propanamide
CID 47047059
(2R)-2-(dimethylamino)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-2-phenylacetamide
CID 52522894
2-(dimethylamino)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-2-phenylacetamide
CID 51127553
N-benzyl-4-(morpholin-4-ylmethyl)benzamide
CID 786772
(3R)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-3-phenylbutanamide
CID 26008683
(2S)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-2-phenoxybutanamide
CID 27889691
(2R)-2-(2-chlorophenoxy)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]propanamide
CID 39643721
1-(2-methyl-1-phenylpropyl)-3-[[4-(morpholin-4-ylmethyl)phenyl]methyl]urea
CID 42934834
1-methyl-3-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-1-[(1S)-1-phenylethyl]urea
CID 31647122
N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-2-(5-phenyltetrazol-2-yl)propanamide
CID 78851582

Frequently Asked Questions

What is the IUPAC name of 2-benzylsulfanyl-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]propanamide?
The IUPAC name of 2-benzylsulfanyl-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]propanamide (CID 86918572) is 2-benzylsulfanyl-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]propanamide.
What is the SMILES notation for 2-benzylsulfanyl-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]propanamide?
The canonical SMILES for 2-benzylsulfanyl-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]propanamide is CC(SCc1ccccc1)C(=O)NCc1ccc(CN2CCOCC2)cc1.
What is the InChIKey of 2-benzylsulfanyl-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]propanamide?
The InChIKey is TZEQSNRVVNHYTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O2S/c1-18(27-17-21-5-3-2-4-6-21)22(25)23-15-19-7-9-20(10-8-19)16-24-11-13-26-14-12-24/h2-10,18H,11-17H2,1H3,(H,23,25).
What are the key properties of 2-benzylsulfanyl-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]propanamide?
2-benzylsulfanyl-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]propanamide has a molecular weight of 384.55 g/mol, XLogP of 3.46, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylsulfanyl-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]propanamide is sourced from PubChem (CID 86918572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).