4-(3-benzyl-2-oxo-1,3-diazinan-1-yl)-N-(thiophen-2-ylmethyl)benzamide

C23H23N3O2S — CID 50754186

IUPAC4-(3-benzyl-2-oxo-1,3-diazinan-1-yl)-N-(thiophen-2-ylmethyl)benzamide
SMILESO=C(NCc1cccs1)c1ccc(N2CCCN(Cc3ccccc3)C2=O)cc1
InChIInChI=1S/C23H23N3O2S/c27-22(24-16-21-8-4-15-29-21)19-9-11-20(12-10-19)26-14-5-13-25(23(26)28)17-18-6-2-1-3-7-18/h1-4,6-12,15H,5,13-14,16-17H2,(H,24,27)
InChIKeyJUIQJJBAFPTRAX-UHFFFAOYSA-N
MW405.52 g/mol
LogP4.51
Rot. Bonds6

About 4-(3-benzyl-2-oxo-1,3-diazinan-1-yl)-N-(thiophen-2-ylmethyl)benzamide

4-(3-benzyl-2-oxo-1,3-diazinan-1-yl)-N-(thiophen-2-ylmethyl)benzamide (PubChem CID 50754186) has the molecular formula C23H23N3O2S and a molecular weight of 405.52 g/mol. Its IUPAC name is 4-(3-benzyl-2-oxo-1,3-diazinan-1-yl)-N-(thiophen-2-ylmethyl)benzamide.

Molecular Properties

Compound Name4-(3-benzyl-2-oxo-1,3-diazinan-1-yl)-N-(thiophen-2-ylmethyl)benzamide
PubChem CID50754186
Molecular FormulaC23H23N3O2S
Molecular Weight405.52 g/mol
Exact Mass405.15
IUPAC Name4-(3-benzyl-2-oxo-1,3-diazinan-1-yl)-N-(thiophen-2-ylmethyl)benzamide
SMILESO=C(NCc1cccs1)c1ccc(N2CCCN(Cc3ccccc3)C2=O)cc1
InChIInChI=1S/C23H23N3O2S/c27-22(24-16-21-8-4-15-29-21)19-9-11-20(12-10-19)26-14-5-13-25(23(26)28)17-18-6-2-1-3-7-18/h1-4,6-12,15H,5,13-14,16-17H2,(H,24,27)
InChIKeyJUIQJJBAFPTRAX-UHFFFAOYSA-N
XLogP4.51
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.52
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-benzyl-2-oxo-1,3-diazinan-1-yl)-N-phenylbenzamide
CID 50754409
4-(2-oxopyrrolidin-1-yl)-N-(thiophen-2-ylmethyl)benzamide
CID 2439556
5-benzyl-4-oxo-N-(thiophen-2-ylmethyl)-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
CID 50798104
N-[(4-chlorophenyl)methyl]-4-[3-[(2-methylphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]benzamide
CID 50754199
4-[3-[(4-chlorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]-N-[(3-methoxyphenyl)methyl]benzamide
CID 50813814
4-(3-benzyl-2-oxo-1,3-diazinan-1-yl)-N-(2-hydroxyethyl)-N-methylbenzamide
CID 50813915
4-(3-benzyl-2-oxo-1,3-diazinan-1-yl)-N-(2-ethoxyphenyl)benzamide
CID 50754372
N-[4-[2-oxo-3-[[4-(trifluoromethyl)phenyl]methyl]-1,3-diazinan-1-yl]phenyl]thiophene-2-carboxamide
CID 46040795
3-(3-benzyl-2-oxo-1,3-diazinan-1-yl)-N-(oxolan-2-ylmethyl)benzamide
CID 50814389
4-[3-[(4-fluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]-N-(2-methoxyethyl)benzamide
CID 50813792
N-[4-[3-[(2-cyanophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]-2-thiophen-2-ylacetamide
CID 42868661
3-(2-oxopyrrolidin-1-yl)-N-(thiophen-2-ylmethyl)benzamide
CID 3244167

Frequently Asked Questions

What is the IUPAC name of 4-(3-benzyl-2-oxo-1,3-diazinan-1-yl)-N-(thiophen-2-ylmethyl)benzamide?
The IUPAC name of 4-(3-benzyl-2-oxo-1,3-diazinan-1-yl)-N-(thiophen-2-ylmethyl)benzamide (CID 50754186) is 4-(3-benzyl-2-oxo-1,3-diazinan-1-yl)-N-(thiophen-2-ylmethyl)benzamide.
What is the SMILES notation for 4-(3-benzyl-2-oxo-1,3-diazinan-1-yl)-N-(thiophen-2-ylmethyl)benzamide?
The canonical SMILES for 4-(3-benzyl-2-oxo-1,3-diazinan-1-yl)-N-(thiophen-2-ylmethyl)benzamide is O=C(NCc1cccs1)c1ccc(N2CCCN(Cc3ccccc3)C2=O)cc1.
What is the InChIKey of 4-(3-benzyl-2-oxo-1,3-diazinan-1-yl)-N-(thiophen-2-ylmethyl)benzamide?
The InChIKey is JUIQJJBAFPTRAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O2S/c27-22(24-16-21-8-4-15-29-21)19-9-11-20(12-10-19)26-14-5-13-25(23(26)28)17-18-6-2-1-3-7-18/h1-4,6-12,15H,5,13-14,16-17H2,(H,24,27).
What are the key properties of 4-(3-benzyl-2-oxo-1,3-diazinan-1-yl)-N-(thiophen-2-ylmethyl)benzamide?
4-(3-benzyl-2-oxo-1,3-diazinan-1-yl)-N-(thiophen-2-ylmethyl)benzamide has a molecular weight of 405.52 g/mol, XLogP of 4.51, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-benzyl-2-oxo-1,3-diazinan-1-yl)-N-(thiophen-2-ylmethyl)benzamide is sourced from PubChem (CID 50754186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).