(2R)-N-(5-chloro-2-methylphenyl)-2-(4-oxo-6-phenylthieno[2,3-d]triazin-3-yl)propanamide

C21H17ClN4O2S — CID 40776195

IUPAC(2R)-N-(5-chloro-2-methylphenyl)-2-(4-oxo-6-phenylthieno[2,3-d]triazin-3-yl)propanamide
SMILESCc1ccc(Cl)cc1NC(=O)[C@@H](C)n1nnc2sc(-c3ccccc3)cc2c1=O
InChIInChI=1S/C21H17ClN4O2S/c1-12-8-9-15(22)10-17(12)23-19(27)13(2)26-21(28)16-11-18(29-20(16)24-25-26)14-6-4-3-5-7-14/h3-11,13H,1-2H3,(H,23,27)/t13-/m1/s1
InChIKeyFQLSSLXPLIYPBG-CYBMUJFWSA-N
MW424.91 g/mol
LogP4.68
Rot. Bonds4

About (2R)-N-(5-chloro-2-methylphenyl)-2-(4-oxo-6-phenylthieno[2,3-d]triazin-3-yl)propanamide

(2R)-N-(5-chloro-2-methylphenyl)-2-(4-oxo-6-phenylthieno[2,3-d]triazin-3-yl)propanamide (PubChem CID 40776195) has the molecular formula C21H17ClN4O2S and a molecular weight of 424.91 g/mol. Its IUPAC name is (2R)-N-(5-chloro-2-methylphenyl)-2-(4-oxo-6-phenylthieno[2,3-d]triazin-3-yl)propanamide.

Molecular Properties

Compound Name(2R)-N-(5-chloro-2-methylphenyl)-2-(4-oxo-6-phenylthieno[2,3-d]triazin-3-yl)propanamide
PubChem CID40776195
Molecular FormulaC21H17ClN4O2S
Molecular Weight424.91 g/mol
Exact Mass424.08
IUPAC Name(2R)-N-(5-chloro-2-methylphenyl)-2-(4-oxo-6-phenylthieno[2,3-d]triazin-3-yl)propanamide
SMILESCc1ccc(Cl)cc1NC(=O)[C@@H](C)n1nnc2sc(-c3ccccc3)cc2c1=O
InChIInChI=1S/C21H17ClN4O2S/c1-12-8-9-15(22)10-17(12)23-19(27)13(2)26-21(28)16-11-18(29-20(16)24-25-26)14-6-4-3-5-7-14/h3-11,13H,1-2H3,(H,23,27)/t13-/m1/s1
InChIKeyFQLSSLXPLIYPBG-CYBMUJFWSA-N
XLogP4.68
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.91
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-N-(5-chloro-2-methoxyphenyl)-2-(4-oxo-6-phenylthieno[2,3-d]triazin-3-yl)propanamide
CID 40840702
methyl (2S)-2-(4-oxo-6-phenylthieno[2,3-d]triazin-3-yl)propanoate
CID 1426424
(2R)-N-(4-ethylphenyl)-2-(4-oxo-6-phenylthieno[2,3-d]triazin-3-yl)propanamide
CID 7540813
ethyl (2R)-2-(4-oxo-6-phenylthieno[2,3-d]triazin-3-yl)propanoate
CID 1426430
N-(5-chloro-2-methoxyphenyl)-2-(2-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)propanamide
CID 23409821
(2S)-N-(4-chlorophenyl)-2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)propanamide
CID 7708724
(2R)-N-(2-chlorophenyl)-2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)propanamide
CID 7730268
(2S)-N-(5-chloro-2-methylphenyl)-2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide
CID 7730518
N-(5-chloro-2-methylphenyl)-2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide
CID 44639367
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
(2S)-N-(5-chloro-2-methylphenyl)-2-(1,3-dioxoisoindol-2-yl)propanamide
CID 7728470

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(5-chloro-2-methylphenyl)-2-(4-oxo-6-phenylthieno[2,3-d]triazin-3-yl)propanamide?
The IUPAC name of (2R)-N-(5-chloro-2-methylphenyl)-2-(4-oxo-6-phenylthieno[2,3-d]triazin-3-yl)propanamide (CID 40776195) is (2R)-N-(5-chloro-2-methylphenyl)-2-(4-oxo-6-phenylthieno[2,3-d]triazin-3-yl)propanamide.
What is the SMILES notation for (2R)-N-(5-chloro-2-methylphenyl)-2-(4-oxo-6-phenylthieno[2,3-d]triazin-3-yl)propanamide?
The canonical SMILES for (2R)-N-(5-chloro-2-methylphenyl)-2-(4-oxo-6-phenylthieno[2,3-d]triazin-3-yl)propanamide is Cc1ccc(Cl)cc1NC(=O)[C@@H](C)n1nnc2sc(-c3ccccc3)cc2c1=O.
What is the InChIKey of (2R)-N-(5-chloro-2-methylphenyl)-2-(4-oxo-6-phenylthieno[2,3-d]triazin-3-yl)propanamide?
The InChIKey is FQLSSLXPLIYPBG-CYBMUJFWSA-N. The full InChI is InChI=1S/C21H17ClN4O2S/c1-12-8-9-15(22)10-17(12)23-19(27)13(2)26-21(28)16-11-18(29-20(16)24-25-26)14-6-4-3-5-7-14/h3-11,13H,1-2H3,(H,23,27)/t13-/m1/s1.
What are the key properties of (2R)-N-(5-chloro-2-methylphenyl)-2-(4-oxo-6-phenylthieno[2,3-d]triazin-3-yl)propanamide?
(2R)-N-(5-chloro-2-methylphenyl)-2-(4-oxo-6-phenylthieno[2,3-d]triazin-3-yl)propanamide has a molecular weight of 424.91 g/mol, XLogP of 4.68, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(5-chloro-2-methylphenyl)-2-(4-oxo-6-phenylthieno[2,3-d]triazin-3-yl)propanamide is sourced from PubChem (CID 40776195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).