N-(2-cyanoethyl)-N-methyl-2-(4-oxo-3,6-diphenylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide

C24H20N4O2S2 — CID 37136380

IUPACN-(2-cyanoethyl)-N-methyl-2-(4-oxo-3,6-diphenylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide
SMILESCN(CCC#N)C(=O)CSc1nc2sc(-c3ccccc3)cc2c(=O)n1-c1ccccc1
InChIInChI=1S/C24H20N4O2S2/c1-27(14-8-13-25)21(29)16-31-24-26-22-19(15-20(32-22)17-9-4-2-5-10-17)23(30)28(24)18-11-6-3-7-12-18/h2-7,9-12,15H,8,14,16H2,1H3
InChIKeyCEZIQLYEBCWODG-UHFFFAOYSA-N
MW460.58 g/mol
LogP4.58
Rot. Bonds7

About N-(2-cyanoethyl)-N-methyl-2-(4-oxo-3,6-diphenylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide

N-(2-cyanoethyl)-N-methyl-2-(4-oxo-3,6-diphenylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide (PubChem CID 37136380) has the molecular formula C24H20N4O2S2 and a molecular weight of 460.58 g/mol. Its IUPAC name is N-(2-cyanoethyl)-N-methyl-2-(4-oxo-3,6-diphenylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-N-methyl-2-(4-oxo-3,6-diphenylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide
PubChem CID37136380
Molecular FormulaC24H20N4O2S2
Molecular Weight460.58 g/mol
Exact Mass460.10
IUPAC NameN-(2-cyanoethyl)-N-methyl-2-(4-oxo-3,6-diphenylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide
SMILESCN(CCC#N)C(=O)CSc1nc2sc(-c3ccccc3)cc2c(=O)n1-c1ccccc1
InChIInChI=1S/C24H20N4O2S2/c1-27(14-8-13-25)21(29)16-31-24-26-22-19(15-20(32-22)17-9-4-2-5-10-17)23(30)28(24)18-11-6-3-7-12-18/h2-7,9-12,15H,8,14,16H2,1H3
InChIKeyCEZIQLYEBCWODG-UHFFFAOYSA-N
XLogP4.58
TPSA78.99 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.58
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze N-(2-cyanoethyl)-N-methyl-2-(4-oxo-3,6-diphenylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide with MolForge

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Related Compounds

N-(2-cyanoethyl)-2-[3-(2,6-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-methylacetamide
CID 7501227
N-(2-cyanoethyl)-2-[3-(3-fluoro-4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-methylacetamide
CID 33112385
N-(2-cyanoethyl)-2-[3-(2-ethylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-methylacetamide
CID 8665771
N-(2-cyanoethyl)-2-[3-(2,3-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-methylacetamide
CID 7418960
N-methyl-2-(3-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(thiophen-2-ylmethyl)acetamide
CID 29384962
3,6-diphenyl-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]thieno[2,3-d]pyrimidin-4-one
CID 46791908
2-[[5-(4-chlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-cyanoethyl)-N-methylacetamide
CID 7240607
2-(3-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide
CID 35772562
(2S)-N-benzyl-2-(4-oxo-3,6-diphenylthieno[2,3-d]pyrimidin-2-yl)sulfanylpropanamide
CID 2494974
N-benzyl-N-methyl-2-(6-methyl-4-oxo-3,5-diphenylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide
CID 40913981
N-(2-cyanoethyl)-N-(3,5-dimethylphenyl)-2-[3-(3-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 16533056
N-(2-cyanoethyl)-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-methylacetamide
CID 7625453

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-N-methyl-2-(4-oxo-3,6-diphenylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide?
The IUPAC name of N-(2-cyanoethyl)-N-methyl-2-(4-oxo-3,6-diphenylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide (CID 37136380) is N-(2-cyanoethyl)-N-methyl-2-(4-oxo-3,6-diphenylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide.
What is the SMILES notation for N-(2-cyanoethyl)-N-methyl-2-(4-oxo-3,6-diphenylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide?
The canonical SMILES for N-(2-cyanoethyl)-N-methyl-2-(4-oxo-3,6-diphenylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide is CN(CCC#N)C(=O)CSc1nc2sc(-c3ccccc3)cc2c(=O)n1-c1ccccc1.
What is the InChIKey of N-(2-cyanoethyl)-N-methyl-2-(4-oxo-3,6-diphenylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide?
The InChIKey is CEZIQLYEBCWODG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N4O2S2/c1-27(14-8-13-25)21(29)16-31-24-26-22-19(15-20(32-22)17-9-4-2-5-10-17)23(30)28(24)18-11-6-3-7-12-18/h2-7,9-12,15H,8,14,16H2,1H3.
What are the key properties of N-(2-cyanoethyl)-N-methyl-2-(4-oxo-3,6-diphenylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide?
N-(2-cyanoethyl)-N-methyl-2-(4-oxo-3,6-diphenylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide has a molecular weight of 460.58 g/mol, XLogP of 4.58, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-N-methyl-2-(4-oxo-3,6-diphenylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide is sourced from PubChem (CID 37136380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).