(2R)-N-(2-chlorophenyl)-2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide

C17H16ClN3O2S — CID 7730262

IUPAC(2R)-N-(2-chlorophenyl)-2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide
SMILESCCc1cc2c(=O)n([C@H](C)C(=O)Nc3ccccc3Cl)cnc2s1
InChIInChI=1S/C17H16ClN3O2S/c1-3-11-8-12-16(24-11)19-9-21(17(12)23)10(2)15(22)20-14-7-5-4-6-13(14)18/h4-10H,3H2,1-2H3,(H,20,22)/t10-/m1/s1
InChIKeyDYTAHZWJBGLTDR-SNVBAGLBSA-N
MW361.85 g/mol
LogP3.87
Rot. Bonds4

About (2R)-N-(2-chlorophenyl)-2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide

(2R)-N-(2-chlorophenyl)-2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide (PubChem CID 7730262) has the molecular formula C17H16ClN3O2S and a molecular weight of 361.85 g/mol. Its IUPAC name is (2R)-N-(2-chlorophenyl)-2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide.

Molecular Properties

Compound Name(2R)-N-(2-chlorophenyl)-2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide
PubChem CID7730262
Molecular FormulaC17H16ClN3O2S
Molecular Weight361.85 g/mol
Exact Mass361.07
IUPAC Name(2R)-N-(2-chlorophenyl)-2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide
SMILESCCc1cc2c(=O)n([C@H](C)C(=O)Nc3ccccc3Cl)cnc2s1
InChIInChI=1S/C17H16ClN3O2S/c1-3-11-8-12-16(24-11)19-9-21(17(12)23)10(2)15(22)20-14-7-5-4-6-13(14)18/h4-10H,3H2,1-2H3,(H,20,22)/t10-/m1/s1
InChIKeyDYTAHZWJBGLTDR-SNVBAGLBSA-N
XLogP3.87
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.85
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2R)-N-(2-chlorophenyl)-2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-N-(2-ethoxyphenyl)-2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide
CID 7729683
(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
(2R)-N-(2-chlorophenyl)-2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)propanamide
CID 7730268
N-(2-ethoxyphenyl)-2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)propanamide
CID 44638739
N-(2-chlorophenyl)-2-[5-(4-chlorophenyl)-6-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl]propanamide
CID 44639138
N-(2-chlorophenyl)-2-[5-(3,4-dimethylphenyl)-6-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl]propanamide
CID 44639137
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)propanamide
CID 44639176
(2R)-N-(2-chlorophenyl)-2-[(7R)-7-methyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl]propanamide
CID 7730249
3-[2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)propanoyl-methylamino]propanoic acid
CID 82032549
(2S)-N-(4-chlorophenyl)-2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)propanamide
CID 7708724
3-[1-(3-chloro-2-methylanilino)-1-oxopropan-2-yl]-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylic acid
CID 23409932

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2-chlorophenyl)-2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide?
The IUPAC name of (2R)-N-(2-chlorophenyl)-2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide (CID 7730262) is (2R)-N-(2-chlorophenyl)-2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide.
What is the SMILES notation for (2R)-N-(2-chlorophenyl)-2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide?
The canonical SMILES for (2R)-N-(2-chlorophenyl)-2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide is CCc1cc2c(=O)n([C@H](C)C(=O)Nc3ccccc3Cl)cnc2s1.
What is the InChIKey of (2R)-N-(2-chlorophenyl)-2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide?
The InChIKey is DYTAHZWJBGLTDR-SNVBAGLBSA-N. The full InChI is InChI=1S/C17H16ClN3O2S/c1-3-11-8-12-16(24-11)19-9-21(17(12)23)10(2)15(22)20-14-7-5-4-6-13(14)18/h4-10H,3H2,1-2H3,(H,20,22)/t10-/m1/s1.
What are the key properties of (2R)-N-(2-chlorophenyl)-2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide?
(2R)-N-(2-chlorophenyl)-2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide has a molecular weight of 361.85 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2-chlorophenyl)-2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide is sourced from PubChem (CID 7730262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).