N-(5-chloro-2-methoxyphenyl)-2-(2-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)propanamide

C23H20ClN3O3S — CID 23409821

IUPACN-(5-chloro-2-methoxyphenyl)-2-(2-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)propanamide
SMILESCOc1ccc(Cl)cc1NC(=O)C(C)n1c(C)nc2sc(-c3ccccc3)cc2c1=O
InChIInChI=1S/C23H20ClN3O3S/c1-13(21(28)26-18-11-16(24)9-10-19(18)30-3)27-14(2)25-22-17(23(27)29)12-20(31-22)15-7-5-4-6-8-15/h4-13H,1-3H3,(H,26,28)
InChIKeyLSKBXWJCYGPEKX-UHFFFAOYSA-N
MW453.95 g/mol
LogP5.30
Rot. Bonds5

About N-(5-chloro-2-methoxyphenyl)-2-(2-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)propanamide

N-(5-chloro-2-methoxyphenyl)-2-(2-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)propanamide (PubChem CID 23409821) has the molecular formula C23H20ClN3O3S and a molecular weight of 453.95 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-2-(2-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)propanamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-2-(2-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)propanamide
PubChem CID23409821
Molecular FormulaC23H20ClN3O3S
Molecular Weight453.95 g/mol
Exact Mass453.09
IUPAC NameN-(5-chloro-2-methoxyphenyl)-2-(2-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)propanamide
SMILESCOc1ccc(Cl)cc1NC(=O)C(C)n1c(C)nc2sc(-c3ccccc3)cc2c1=O
InChIInChI=1S/C23H20ClN3O3S/c1-13(21(28)26-18-11-16(24)9-10-19(18)30-3)27-14(2)25-22-17(23(27)29)12-20(31-22)15-7-5-4-6-8-15/h4-13H,1-3H3,(H,26,28)
InChIKeyLSKBXWJCYGPEKX-UHFFFAOYSA-N
XLogP5.30
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.95
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-chloro-4-methoxyphenyl)-2-(2-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)propanamide
CID 23409888
(2S)-N-(5-chloro-2-methoxyphenyl)-2-(4-oxo-6-phenylthieno[2,3-d]triazin-3-yl)propanamide
CID 40840702
2-(2-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 23409763
(2R)-N-(5-chloro-2-methylphenyl)-2-(4-oxo-6-phenylthieno[2,3-d]triazin-3-yl)propanamide
CID 40776195
N-(2-methoxy-5-methylphenyl)-2-(2-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide
CID 23410069
N-(2,4-dimethoxyphenyl)-2-(2-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide
CID 23409195
(2S)-N-(4-chlorophenyl)-2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)propanamide
CID 7708724
N-(5-chloro-2-methoxyphenyl)-2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide
CID 16805570
N-(5-chloro-2-methoxyphenyl)-2-phenyl-1,3-thiazole-5-carboxamide
CID 55704407
(2S)-N-(5-chloro-2-methoxyphenyl)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]propanamide
CID 2563340
N-(2-ethoxyphenyl)-2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)propanamide
CID 44638739
[(2S)-1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl] 1,5-diphenyl-1,2,4-triazole-3-carboxylate
CID 40987393

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-(2-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)propanamide?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-(2-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)propanamide (CID 23409821) is N-(5-chloro-2-methoxyphenyl)-2-(2-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)propanamide.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-2-(2-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)propanamide?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-2-(2-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)propanamide is COc1ccc(Cl)cc1NC(=O)C(C)n1c(C)nc2sc(-c3ccccc3)cc2c1=O.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-2-(2-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)propanamide?
The InChIKey is LSKBXWJCYGPEKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClN3O3S/c1-13(21(28)26-18-11-16(24)9-10-19(18)30-3)27-14(2)25-22-17(23(27)29)12-20(31-22)15-7-5-4-6-8-15/h4-13H,1-3H3,(H,26,28).
What are the key properties of N-(5-chloro-2-methoxyphenyl)-2-(2-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)propanamide?
N-(5-chloro-2-methoxyphenyl)-2-(2-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)propanamide has a molecular weight of 453.95 g/mol, XLogP of 5.30, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-2-(2-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)propanamide is sourced from PubChem (CID 23409821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).