2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-N-[3-(pyridin-2-ylmethoxy)phenyl]acetamide

C20H23N3O4S — CID 33499201

IUPAC2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-N-[3-(pyridin-2-ylmethoxy)phenyl]acetamide
SMILESO=C(CSCC(=O)N1CCOCC1)Nc1cccc(OCc2ccccn2)c1
InChIInChI=1S/C20H23N3O4S/c24-19(14-28-15-20(25)23-8-10-26-11-9-23)22-16-5-3-6-18(12-16)27-13-17-4-1-2-7-21-17/h1-7,12H,8-11,13-15H2,(H,22,24)
InChIKeyVBPMFHZXEKQGJO-UHFFFAOYSA-N
MW401.49 g/mol
LogP2.19
Rot. Bonds8

About 2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-N-[3-(pyridin-2-ylmethoxy)phenyl]acetamide

2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-N-[3-(pyridin-2-ylmethoxy)phenyl]acetamide (PubChem CID 33499201) has the molecular formula C20H23N3O4S and a molecular weight of 401.49 g/mol. Its IUPAC name is 2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-N-[3-(pyridin-2-ylmethoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-N-[3-(pyridin-2-ylmethoxy)phenyl]acetamide
PubChem CID33499201
Molecular FormulaC20H23N3O4S
Molecular Weight401.49 g/mol
Exact Mass401.14
IUPAC Name2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-N-[3-(pyridin-2-ylmethoxy)phenyl]acetamide
SMILESO=C(CSCC(=O)N1CCOCC1)Nc1cccc(OCc2ccccn2)c1
InChIInChI=1S/C20H23N3O4S/c24-19(14-28-15-20(25)23-8-10-26-11-9-23)22-16-5-3-6-18(12-16)27-13-17-4-1-2-7-21-17/h1-7,12H,8-11,13-15H2,(H,22,24)
InChIKeyVBPMFHZXEKQGJO-UHFFFAOYSA-N
XLogP2.19
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.49
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-[(4-fluorophenyl)methoxy]phenyl]-2-(pyridin-2-ylmethylsulfanyl)acetamide
CID 55825043
2-(1,3-benzothiazol-2-ylmethylsulfanyl)-N-[3-(pyridin-2-ylmethoxy)phenyl]acetamide
CID 33499249
2-cyclohexyl-N-[3-(pyridin-2-ylmethoxy)phenyl]acetamide
CID 38671683
N-(1,3-benzodioxol-5-yl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide
CID 8892824
3-(3,5-dimethylphenoxy)-N-[3-(pyridin-2-ylmethoxy)phenyl]propanamide
CID 55653561
N-[3-(pyridin-2-ylmethoxy)phenyl]-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide
CID 47045194
2-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]sulfanyl-N-phenylacetamide
CID 39075960
4-phenyl-N-[3-(pyridin-2-ylmethoxy)phenyl]benzamide
CID 38670554
(2S)-2-hydroxy-2-phenyl-N-[3-(pyridin-2-ylmethoxy)phenyl]acetamide
CID 75514519
N-[3-(pyridin-2-ylmethoxy)phenyl]morpholine-2-carboxamide;dihydrochloride
CID 119846119
3-phenylmethoxy-N-[3-(pyridin-2-ylmethoxy)phenyl]benzamide
CID 33498503
3-hydroxy-6-methyl-2-[3-morpholin-4-yl-3-oxo-1-[3-(pyridin-2-ylmethoxy)phenyl]propyl]pyran-4-one
CID 75489267

Frequently Asked Questions

What is the IUPAC name of 2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-N-[3-(pyridin-2-ylmethoxy)phenyl]acetamide?
The IUPAC name of 2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-N-[3-(pyridin-2-ylmethoxy)phenyl]acetamide (CID 33499201) is 2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-N-[3-(pyridin-2-ylmethoxy)phenyl]acetamide.
What is the SMILES notation for 2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-N-[3-(pyridin-2-ylmethoxy)phenyl]acetamide?
The canonical SMILES for 2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-N-[3-(pyridin-2-ylmethoxy)phenyl]acetamide is O=C(CSCC(=O)N1CCOCC1)Nc1cccc(OCc2ccccn2)c1.
What is the InChIKey of 2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-N-[3-(pyridin-2-ylmethoxy)phenyl]acetamide?
The InChIKey is VBPMFHZXEKQGJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O4S/c24-19(14-28-15-20(25)23-8-10-26-11-9-23)22-16-5-3-6-18(12-16)27-13-17-4-1-2-7-21-17/h1-7,12H,8-11,13-15H2,(H,22,24).
What are the key properties of 2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-N-[3-(pyridin-2-ylmethoxy)phenyl]acetamide?
2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-N-[3-(pyridin-2-ylmethoxy)phenyl]acetamide has a molecular weight of 401.49 g/mol, XLogP of 2.19, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-N-[3-(pyridin-2-ylmethoxy)phenyl]acetamide is sourced from PubChem (CID 33499201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).