N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetamide

C19H23N3O3S — CID 39630789

IUPACN-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetamide
SMILESO=C(CSc1cccc[n+]1[O-])NCc1ccccc1CN1CCOCC1
InChIInChI=1S/C19H23N3O3S/c23-18(15-26-19-7-3-4-8-22(19)24)20-13-16-5-1-2-6-17(16)14-21-9-11-25-12-10-21/h1-8H,9-15H2,(H,20,23)
InChIKeyAPRXBAAGYOYBSV-UHFFFAOYSA-N
MW373.48 g/mol
LogP1.56
Rot. Bonds7

About N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetamide

N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetamide (PubChem CID 39630789) has the molecular formula C19H23N3O3S and a molecular weight of 373.48 g/mol. Its IUPAC name is N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetamide
PubChem CID39630789
Molecular FormulaC19H23N3O3S
Molecular Weight373.48 g/mol
Exact Mass373.15
IUPAC NameN-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetamide
SMILESO=C(CSc1cccc[n+]1[O-])NCc1ccccc1CN1CCOCC1
InChIInChI=1S/C19H23N3O3S/c23-18(15-26-19-7-3-4-8-22(19)24)20-13-16-5-1-2-6-17(16)14-21-9-11-25-12-10-21/h1-8H,9-15H2,(H,20,23)
InChIKeyAPRXBAAGYOYBSV-UHFFFAOYSA-N
XLogP1.56
TPSA68.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N_oxide', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

2-(2-chlorophenyl)sulfanyl-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]acetamide
CID 51207846
2-bromo-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]acetamide
CID 63679084
2-(3,4-difluorophenyl)sulfanyl-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]acetamide
CID 8926696
N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-3-phenylsulfanylpropanamide
CID 9481241
2-(4-methylphenyl)-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]acetamide
CID 27887322
N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 39968410
3-(4-chlorophenyl)sulfanyl-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]propanamide
CID 9481313
N-(4-morpholin-4-ylsulfonylphenyl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetamide
CID 7795624
2-ethoxy-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]acetamide
CID 60668732
N-[2-[[2-(morpholin-4-ylmethyl)phenyl]methylamino]-2-oxoethyl]benzamide
CID 9481147
2-phenylsulfanyl-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide
CID 9143003
N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-3-naphthalen-1-ylpropanamide
CID 53278818

Frequently Asked Questions

What is the IUPAC name of N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetamide?
The IUPAC name of N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetamide (CID 39630789) is N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetamide.
What is the SMILES notation for N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetamide?
The canonical SMILES for N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetamide is O=C(CSc1cccc[n+]1[O-])NCc1ccccc1CN1CCOCC1.
What is the InChIKey of N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetamide?
The InChIKey is APRXBAAGYOYBSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3S/c23-18(15-26-19-7-3-4-8-22(19)24)20-13-16-5-1-2-6-17(16)14-21-9-11-25-12-10-21/h1-8H,9-15H2,(H,20,23).
What are the key properties of N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetamide?
N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetamide has a molecular weight of 373.48 g/mol, XLogP of 1.56, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetamide is sourced from PubChem (CID 39630789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).