(2R)-N-(4-ethylphenyl)-2-(4-oxo-6-phenylthieno[2,3-d]triazin-3-yl)propanamide

C22H20N4O2S — CID 7540813

IUPAC(2R)-N-(4-ethylphenyl)-2-(4-oxo-6-phenylthieno[2,3-d]triazin-3-yl)propanamide
SMILESCCc1ccc(NC(=O)[C@@H](C)n2nnc3sc(-c4ccccc4)cc3c2=O)cc1
InChIInChI=1S/C22H20N4O2S/c1-3-15-9-11-17(12-10-15)23-20(27)14(2)26-22(28)18-13-19(29-21(18)24-25-26)16-7-5-4-6-8-16/h4-14H,3H2,1-2H3,(H,23,27)/t14-/m1/s1
InChIKeyNERDMEOJTNYTKH-CQSZACIVSA-N
MW404.50 g/mol
LogP4.28
Rot. Bonds5

About (2R)-N-(4-ethylphenyl)-2-(4-oxo-6-phenylthieno[2,3-d]triazin-3-yl)propanamide

(2R)-N-(4-ethylphenyl)-2-(4-oxo-6-phenylthieno[2,3-d]triazin-3-yl)propanamide (PubChem CID 7540813) has the molecular formula C22H20N4O2S and a molecular weight of 404.50 g/mol. Its IUPAC name is (2R)-N-(4-ethylphenyl)-2-(4-oxo-6-phenylthieno[2,3-d]triazin-3-yl)propanamide.

Molecular Properties

Compound Name(2R)-N-(4-ethylphenyl)-2-(4-oxo-6-phenylthieno[2,3-d]triazin-3-yl)propanamide
PubChem CID7540813
Molecular FormulaC22H20N4O2S
Molecular Weight404.50 g/mol
Exact Mass404.13
IUPAC Name(2R)-N-(4-ethylphenyl)-2-(4-oxo-6-phenylthieno[2,3-d]triazin-3-yl)propanamide
SMILESCCc1ccc(NC(=O)[C@@H](C)n2nnc3sc(-c4ccccc4)cc3c2=O)cc1
InChIInChI=1S/C22H20N4O2S/c1-3-15-9-11-17(12-10-15)23-20(27)14(2)26-22(28)18-13-19(29-21(18)24-25-26)16-7-5-4-6-8-16/h4-14H,3H2,1-2H3,(H,23,27)/t14-/m1/s1
InChIKeyNERDMEOJTNYTKH-CQSZACIVSA-N
XLogP4.28
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.50
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl (2R)-2-(4-oxo-6-phenylthieno[2,3-d]triazin-3-yl)propanoate
CID 1426430
methyl (2S)-2-(4-oxo-6-phenylthieno[2,3-d]triazin-3-yl)propanoate
CID 1426424
(2R)-N-(5-chloro-2-methylphenyl)-2-(4-oxo-6-phenylthieno[2,3-d]triazin-3-yl)propanamide
CID 40776195
(2S)-N-(5-chloro-2-methoxyphenyl)-2-(4-oxo-6-phenylthieno[2,3-d]triazin-3-yl)propanamide
CID 40840702
(2S)-N-(4-chlorophenyl)-2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)propanamide
CID 7708724
N-(2-ethylphenyl)-2-(4-oxo-6-phenylthieno[2,3-d]triazin-3-yl)acetamide
CID 1426270
N-(2-ethoxyphenyl)-2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)propanamide
CID 44638739
2-methylpropyl 2-(4-oxo-6-phenylthieno[2,3-d]triazin-3-yl)acetate
CID 1426420
2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)-N-(2,4,6-trimethylphenyl)propanamide
CID 44640223
(2S)-2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)-N-(2,4,6-trimethylphenyl)propanamide
CID 1412653
(2R)-N-(2-chlorophenyl)-2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)propanamide
CID 7730268
N-(4-methylsulfanylphenyl)-2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide
CID 24565191

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(4-ethylphenyl)-2-(4-oxo-6-phenylthieno[2,3-d]triazin-3-yl)propanamide?
The IUPAC name of (2R)-N-(4-ethylphenyl)-2-(4-oxo-6-phenylthieno[2,3-d]triazin-3-yl)propanamide (CID 7540813) is (2R)-N-(4-ethylphenyl)-2-(4-oxo-6-phenylthieno[2,3-d]triazin-3-yl)propanamide.
What is the SMILES notation for (2R)-N-(4-ethylphenyl)-2-(4-oxo-6-phenylthieno[2,3-d]triazin-3-yl)propanamide?
The canonical SMILES for (2R)-N-(4-ethylphenyl)-2-(4-oxo-6-phenylthieno[2,3-d]triazin-3-yl)propanamide is CCc1ccc(NC(=O)[C@@H](C)n2nnc3sc(-c4ccccc4)cc3c2=O)cc1.
What is the InChIKey of (2R)-N-(4-ethylphenyl)-2-(4-oxo-6-phenylthieno[2,3-d]triazin-3-yl)propanamide?
The InChIKey is NERDMEOJTNYTKH-CQSZACIVSA-N. The full InChI is InChI=1S/C22H20N4O2S/c1-3-15-9-11-17(12-10-15)23-20(27)14(2)26-22(28)18-13-19(29-21(18)24-25-26)16-7-5-4-6-8-16/h4-14H,3H2,1-2H3,(H,23,27)/t14-/m1/s1.
What are the key properties of (2R)-N-(4-ethylphenyl)-2-(4-oxo-6-phenylthieno[2,3-d]triazin-3-yl)propanamide?
(2R)-N-(4-ethylphenyl)-2-(4-oxo-6-phenylthieno[2,3-d]triazin-3-yl)propanamide has a molecular weight of 404.50 g/mol, XLogP of 4.28, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(4-ethylphenyl)-2-(4-oxo-6-phenylthieno[2,3-d]triazin-3-yl)propanamide is sourced from PubChem (CID 7540813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).