N-[3-[3-(4-oxo-2-pyridin-2-yl-1,3-thiazinan-3-yl)propoxy]phenyl]acetamide

C20H23N3O3S — CID 3810441

IUPACN-[3-[3-(4-oxo-2-pyridin-2-yl-1,3-thiazinan-3-yl)propoxy]phenyl]acetamide
SMILESCC(=O)Nc1cccc(OCCCN2C(=O)CCSC2c2ccccn2)c1
InChIInChI=1S/C20H23N3O3S/c1-15(24)22-16-6-4-7-17(14-16)26-12-5-11-23-19(25)9-13-27-20(23)18-8-2-3-10-21-18/h2-4,6-8,10,14,20H,5,9,11-13H2,1H3,(H,22,24)
InChIKeyHNFQITWWXYXFEX-UHFFFAOYSA-N
MW385.49 g/mol
LogP3.47
Rot. Bonds7

About N-[3-[3-(4-oxo-2-pyridin-2-yl-1,3-thiazinan-3-yl)propoxy]phenyl]acetamide

N-[3-[3-(4-oxo-2-pyridin-2-yl-1,3-thiazinan-3-yl)propoxy]phenyl]acetamide (PubChem CID 3810441) has the molecular formula C20H23N3O3S and a molecular weight of 385.49 g/mol. Its IUPAC name is N-[3-[3-(4-oxo-2-pyridin-2-yl-1,3-thiazinan-3-yl)propoxy]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[3-(4-oxo-2-pyridin-2-yl-1,3-thiazinan-3-yl)propoxy]phenyl]acetamide
PubChem CID3810441
Molecular FormulaC20H23N3O3S
Molecular Weight385.49 g/mol
Exact Mass385.15
IUPAC NameN-[3-[3-(4-oxo-2-pyridin-2-yl-1,3-thiazinan-3-yl)propoxy]phenyl]acetamide
SMILESCC(=O)Nc1cccc(OCCCN2C(=O)CCSC2c2ccccn2)c1
InChIInChI=1S/C20H23N3O3S/c1-15(24)22-16-6-4-7-17(14-16)26-12-5-11-23-19(25)9-13-27-20(23)18-8-2-3-10-21-18/h2-4,6-8,10,14,20H,5,9,11-13H2,1H3,(H,22,24)
InChIKeyHNFQITWWXYXFEX-UHFFFAOYSA-N
XLogP3.47
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.49
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[3-[2-(5-methylfuran-2-yl)-4-oxo-1,3-thiazolidin-3-yl]propoxy]phenyl]acetamide
CID 3721425
N-[3-[3-[2-(3-bromothiophen-2-yl)-4-oxo-1,3-thiazolidin-3-yl]propoxy]phenyl]acetamide
CID 3560653
N-[3-[3-[2-(2-bromo-4,5-dimethoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]propoxy]phenyl]acetamide
CID 3313329
N-[3-(4-oxopentoxy)phenyl]acetamide
CID 62030070
N-[3-(5-hydroxypentoxy)phenyl]acetamide
CID 62229002
N-[3-[3-(dimethylamino)propoxy]phenyl]acetamide
CID 71811695
N-[3-[2-oxo-2-(4-oxopiperidin-1-yl)ethoxy]phenyl]acetamide
CID 62030068
butyl 2-(3-acetamidophenoxy)acetate
CID 54941709
N-[3-(2-amino-2-oxoethoxy)phenyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 30710454
N-[3-(2-methoxyethoxy)phenyl]-2,5-dimethyl-1-pyridin-2-ylpyrrole-3-carboxamide
CID 55959337
N-[3-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]acetamide
CID 22580428
N-[3-(4-oxo-4-thiophen-2-ylbutoxy)phenyl]acetamide
CID 62030071

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-(4-oxo-2-pyridin-2-yl-1,3-thiazinan-3-yl)propoxy]phenyl]acetamide?
The IUPAC name of N-[3-[3-(4-oxo-2-pyridin-2-yl-1,3-thiazinan-3-yl)propoxy]phenyl]acetamide (CID 3810441) is N-[3-[3-(4-oxo-2-pyridin-2-yl-1,3-thiazinan-3-yl)propoxy]phenyl]acetamide.
What is the SMILES notation for N-[3-[3-(4-oxo-2-pyridin-2-yl-1,3-thiazinan-3-yl)propoxy]phenyl]acetamide?
The canonical SMILES for N-[3-[3-(4-oxo-2-pyridin-2-yl-1,3-thiazinan-3-yl)propoxy]phenyl]acetamide is CC(=O)Nc1cccc(OCCCN2C(=O)CCSC2c2ccccn2)c1.
What is the InChIKey of N-[3-[3-(4-oxo-2-pyridin-2-yl-1,3-thiazinan-3-yl)propoxy]phenyl]acetamide?
The InChIKey is HNFQITWWXYXFEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3S/c1-15(24)22-16-6-4-7-17(14-16)26-12-5-11-23-19(25)9-13-27-20(23)18-8-2-3-10-21-18/h2-4,6-8,10,14,20H,5,9,11-13H2,1H3,(H,22,24).
What are the key properties of N-[3-[3-(4-oxo-2-pyridin-2-yl-1,3-thiazinan-3-yl)propoxy]phenyl]acetamide?
N-[3-[3-(4-oxo-2-pyridin-2-yl-1,3-thiazinan-3-yl)propoxy]phenyl]acetamide has a molecular weight of 385.49 g/mol, XLogP of 3.47, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-(4-oxo-2-pyridin-2-yl-1,3-thiazinan-3-yl)propoxy]phenyl]acetamide is sourced from PubChem (CID 3810441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).