2-[2-[(2-fluorophenyl)methylsulfanyl]-4-methyl-6-oxo-1,3-diazinan-5-yl]-N-(thiophen-2-ylmethyl)acetamide

C19H22FN3O2S2 — CID 74611037

IUPAC2-[2-[(2-fluorophenyl)methylsulfanyl]-4-methyl-6-oxo-1,3-diazinan-5-yl]-N-(thiophen-2-ylmethyl)acetamide
SMILESCC1NC(SCc2ccccc2F)NC(=O)C1CC(=O)NCc1cccs1
InChIInChI=1S/C19H22FN3O2S2/c1-12-15(9-17(24)21-10-14-6-4-8-26-14)18(25)23-19(22-12)27-11-13-5-2-3-7-16(13)20/h2-8,12,15,19,22H,9-11H2,1H3,(H,21,24)(H,23,25)
InChIKeyJPPKCFPSKWNJJD-UHFFFAOYSA-N
MW407.54 g/mol
LogP2.83
Rot. Bonds7

About 2-[2-[(2-fluorophenyl)methylsulfanyl]-4-methyl-6-oxo-1,3-diazinan-5-yl]-N-(thiophen-2-ylmethyl)acetamide

2-[2-[(2-fluorophenyl)methylsulfanyl]-4-methyl-6-oxo-1,3-diazinan-5-yl]-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 74611037) has the molecular formula C19H22FN3O2S2 and a molecular weight of 407.54 g/mol. Its IUPAC name is 2-[2-[(2-fluorophenyl)methylsulfanyl]-4-methyl-6-oxo-1,3-diazinan-5-yl]-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[2-[(2-fluorophenyl)methylsulfanyl]-4-methyl-6-oxo-1,3-diazinan-5-yl]-N-(thiophen-2-ylmethyl)acetamide
PubChem CID74611037
Molecular FormulaC19H22FN3O2S2
Molecular Weight407.54 g/mol
Exact Mass407.11
IUPAC Name2-[2-[(2-fluorophenyl)methylsulfanyl]-4-methyl-6-oxo-1,3-diazinan-5-yl]-N-(thiophen-2-ylmethyl)acetamide
SMILESCC1NC(SCc2ccccc2F)NC(=O)C1CC(=O)NCc1cccs1
InChIInChI=1S/C19H22FN3O2S2/c1-12-15(9-17(24)21-10-14-6-4-8-26-14)18(25)23-19(22-12)27-11-13-5-2-3-7-16(13)20/h2-8,12,15,19,22H,9-11H2,1H3,(H,21,24)(H,23,25)
InChIKeyJPPKCFPSKWNJJD-UHFFFAOYSA-N
XLogP2.83
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.54
LogP ≤ 52.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-[2-(methylamino)-2-oxoethyl]sulfanyl-6-oxo-1,3-diazinan-4-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 85465528
2-[2-[(2-fluorophenyl)methylsulfanyl]-6-oxo-1,3-diazinan-4-yl]-N-[(3-methoxyphenyl)methyl]acetamide
CID 74610983
2-[2-[2-(tert-butylamino)-2-oxoethyl]sulfanyl-6-oxo-1,3-diazinan-4-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 85465531
2-thiophen-2-yl-N-(thiophen-2-ylmethyl)acetamide
CID 1245174
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(thiophen-2-ylmethyl)acetamide;hydrochloride
CID 119679299
2-[2-[2-(cyclohexylamino)-2-oxoethyl]sulfanyl-6-oxo-1,3-diazinan-4-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 85465519
N-[(2-chlorophenyl)methyl]-2-(4-methyl-2,6-dioxo-1,3-diazinan-5-yl)acetamide
CID 74925233
2-fluoro-N-(thiophen-2-ylmethyl)acetamide
CID 150063829
2-[2-[2-(4-bromoanilino)-2-oxoethyl]sulfanyl-6-oxo-1,3-diazinan-4-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 85465503
3-[5-[(2-fluorophenyl)methylsulfanyl]-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]-N-(thiophen-2-ylmethyl)propanamide
CID 5183572
(3R,6S)-6-[(2-fluorophenyl)methyl]-5-oxo-N-(2-thiophen-2-ylethyl)thiomorpholine-3-carboxamide
CID 39975151
N-[[1-[(2-fluorophenyl)methyl]pyrrol-2-yl]methyl]-2-thiophen-2-ylacetamide
CID 20886360

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-fluorophenyl)methylsulfanyl]-4-methyl-6-oxo-1,3-diazinan-5-yl]-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of 2-[2-[(2-fluorophenyl)methylsulfanyl]-4-methyl-6-oxo-1,3-diazinan-5-yl]-N-(thiophen-2-ylmethyl)acetamide (CID 74611037) is 2-[2-[(2-fluorophenyl)methylsulfanyl]-4-methyl-6-oxo-1,3-diazinan-5-yl]-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[2-[(2-fluorophenyl)methylsulfanyl]-4-methyl-6-oxo-1,3-diazinan-5-yl]-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for 2-[2-[(2-fluorophenyl)methylsulfanyl]-4-methyl-6-oxo-1,3-diazinan-5-yl]-N-(thiophen-2-ylmethyl)acetamide is CC1NC(SCc2ccccc2F)NC(=O)C1CC(=O)NCc1cccs1.
What is the InChIKey of 2-[2-[(2-fluorophenyl)methylsulfanyl]-4-methyl-6-oxo-1,3-diazinan-5-yl]-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is JPPKCFPSKWNJJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O2S2/c1-12-15(9-17(24)21-10-14-6-4-8-26-14)18(25)23-19(22-12)27-11-13-5-2-3-7-16(13)20/h2-8,12,15,19,22H,9-11H2,1H3,(H,21,24)(H,23,25).
What are the key properties of 2-[2-[(2-fluorophenyl)methylsulfanyl]-4-methyl-6-oxo-1,3-diazinan-5-yl]-N-(thiophen-2-ylmethyl)acetamide?
2-[2-[(2-fluorophenyl)methylsulfanyl]-4-methyl-6-oxo-1,3-diazinan-5-yl]-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 407.54 g/mol, XLogP of 2.83, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2-fluorophenyl)methylsulfanyl]-4-methyl-6-oxo-1,3-diazinan-5-yl]-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 74611037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).