2-benzylsulfanyl-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]propanamide

C20H25N3O2S — CID 47046949

IUPAC2-benzylsulfanyl-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]propanamide
SMILESCC(SCc1ccccc1)C(=O)NCc1ccc(N2CCOCC2)nc1
InChIInChI=1S/C20H25N3O2S/c1-16(26-15-17-5-3-2-4-6-17)20(24)22-14-18-7-8-19(21-13-18)23-9-11-25-12-10-23/h2-8,13,16H,9-12,14-15H2,1H3,(H,22,24)
InChIKeyLANSPQABKILUQE-UHFFFAOYSA-N
MW371.51 g/mol
LogP2.86
Rot. Bonds7

About 2-benzylsulfanyl-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]propanamide

2-benzylsulfanyl-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]propanamide (PubChem CID 47046949) has the molecular formula C20H25N3O2S and a molecular weight of 371.51 g/mol. Its IUPAC name is 2-benzylsulfanyl-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]propanamide.

Molecular Properties

Compound Name2-benzylsulfanyl-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]propanamide
PubChem CID47046949
Molecular FormulaC20H25N3O2S
Molecular Weight371.51 g/mol
Exact Mass371.17
IUPAC Name2-benzylsulfanyl-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]propanamide
SMILESCC(SCc1ccccc1)C(=O)NCc1ccc(N2CCOCC2)nc1
InChIInChI=1S/C20H25N3O2S/c1-16(26-15-17-5-3-2-4-6-17)20(24)22-14-18-7-8-19(21-13-18)23-9-11-25-12-10-23/h2-8,13,16H,9-12,14-15H2,1H3,(H,22,24)
InChIKeyLANSPQABKILUQE-UHFFFAOYSA-N
XLogP2.86
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.51
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-benzylsulfanyl-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]propanamide
CID 47047059
2-methyl-3-[(6-morpholin-4-yl-3-pyridinyl)methylamino]-3-oxopropanoic acid
CID 114897147
N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-2-phenoxypropanamide
CID 18145200
2-benzylsulfanyl-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]propanamide
CID 86918572
2-methoxy-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]propanamide
CID 47303387
(2S)-2-amino-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-3-phenylpropanamide;dihydrochloride
CID 119839457
3-methyl-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-2-phenylpentanamide
CID 17489984
3-chloro-2-methyl-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]propanamide
CID 62727165
2-(2-chlorophenoxy)-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]propanamide
CID 46581557
3-methyl-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-2-[(2-phenoxyacetyl)amino]butanamide
CID 42934862
(2R)-2-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]propanamide
CID 98753721
4-(methylsulfanylmethyl)-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]benzamide
CID 30354650

Frequently Asked Questions

What is the IUPAC name of 2-benzylsulfanyl-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]propanamide?
The IUPAC name of 2-benzylsulfanyl-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]propanamide (CID 47046949) is 2-benzylsulfanyl-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]propanamide.
What is the SMILES notation for 2-benzylsulfanyl-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]propanamide?
The canonical SMILES for 2-benzylsulfanyl-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]propanamide is CC(SCc1ccccc1)C(=O)NCc1ccc(N2CCOCC2)nc1.
What is the InChIKey of 2-benzylsulfanyl-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]propanamide?
The InChIKey is LANSPQABKILUQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2S/c1-16(26-15-17-5-3-2-4-6-17)20(24)22-14-18-7-8-19(21-13-18)23-9-11-25-12-10-23/h2-8,13,16H,9-12,14-15H2,1H3,(H,22,24).
What are the key properties of 2-benzylsulfanyl-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]propanamide?
2-benzylsulfanyl-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]propanamide has a molecular weight of 371.51 g/mol, XLogP of 2.86, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylsulfanyl-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]propanamide is sourced from PubChem (CID 47046949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).