N-[4-[3-[(2-cyanophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]-2-thiophen-2-ylacetamide

C24H22N4O2S — CID 42868661

IUPACN-[4-[3-[(2-cyanophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]-2-thiophen-2-ylacetamide
SMILESN#Cc1ccccc1CN1CCCN(c2ccc(NC(=O)Cc3cccs3)cc2)C1=O
InChIInChI=1S/C24H22N4O2S/c25-16-18-5-1-2-6-19(18)17-27-12-4-13-28(24(27)30)21-10-8-20(9-11-21)26-23(29)15-22-7-3-14-31-22/h1-3,5-11,14H,4,12-13,15,17H2,(H,26,29)
InChIKeyLILHODWIGVXPEQ-UHFFFAOYSA-N
MW430.53 g/mol
LogP4.63
Rot. Bonds6

About N-[4-[3-[(2-cyanophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]-2-thiophen-2-ylacetamide

N-[4-[3-[(2-cyanophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]-2-thiophen-2-ylacetamide (PubChem CID 42868661) has the molecular formula C24H22N4O2S and a molecular weight of 430.53 g/mol. Its IUPAC name is N-[4-[3-[(2-cyanophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[4-[3-[(2-cyanophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]-2-thiophen-2-ylacetamide
PubChem CID42868661
Molecular FormulaC24H22N4O2S
Molecular Weight430.53 g/mol
Exact Mass430.15
IUPAC NameN-[4-[3-[(2-cyanophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]-2-thiophen-2-ylacetamide
SMILESN#Cc1ccccc1CN1CCCN(c2ccc(NC(=O)Cc3cccs3)cc2)C1=O
InChIInChI=1S/C24H22N4O2S/c25-16-18-5-1-2-6-19(18)17-27-12-4-13-28(24(27)30)21-10-8-20(9-11-21)26-23(29)15-22-7-3-14-31-22/h1-3,5-11,14H,4,12-13,15,17H2,(H,26,29)
InChIKeyLILHODWIGVXPEQ-UHFFFAOYSA-N
XLogP4.63
TPSA76.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.53
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-[3-[(2-cyanophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[4-[3-[(2-cyanophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]-2-thiophen-2-ylacetamide (CID 42868661) is N-[4-[3-[(2-cyanophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[4-[3-[(2-cyanophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[4-[3-[(2-cyanophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]-2-thiophen-2-ylacetamide is N#Cc1ccccc1CN1CCCN(c2ccc(NC(=O)Cc3cccs3)cc2)C1=O.
What is the InChIKey of N-[4-[3-[(2-cyanophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]-2-thiophen-2-ylacetamide?
The InChIKey is LILHODWIGVXPEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O2S/c25-16-18-5-1-2-6-19(18)17-27-12-4-13-28(24(27)30)21-10-8-20(9-11-21)26-23(29)15-22-7-3-14-31-22/h1-3,5-11,14H,4,12-13,15,17H2,(H,26,29).
What are the key properties of N-[4-[3-[(2-cyanophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]-2-thiophen-2-ylacetamide?
N-[4-[3-[(2-cyanophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]-2-thiophen-2-ylacetamide has a molecular weight of 430.53 g/mol, XLogP of 4.63, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-[(2-cyanophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 42868661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).