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

C21H15F2N3O2S2 — CID 30850344

IUPACN-(2,4-difluorophenyl)-2-(3-methyl-4-oxo-6-phenylthieno[3,2-d]pyrimidin-2-yl)sulfanylacetamide
SMILESCn1c(SCC(=O)Nc2ccc(F)cc2F)nc2cc(-c3ccccc3)sc2c1=O
InChIInChI=1S/C21H15F2N3O2S2/c1-26-20(28)19-16(10-17(30-19)12-5-3-2-4-6-12)25-21(26)29-11-18(27)24-15-8-7-13(22)9-14(15)23/h2-10H,11H2,1H3,(H,24,27)
InChIKeyKVAXRAYCYZTZJT-UHFFFAOYSA-N
MW443.50 g/mol
LogP4.67
Rot. Bonds5

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

N-(2,4-difluorophenyl)-2-(3-methyl-4-oxo-6-phenylthieno[3,2-d]pyrimidin-2-yl)sulfanylacetamide (PubChem CID 30850344) has the molecular formula C21H15F2N3O2S2 and a molecular weight of 443.50 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-2-(3-methyl-4-oxo-6-phenylthieno[3,2-d]pyrimidin-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-2-(3-methyl-4-oxo-6-phenylthieno[3,2-d]pyrimidin-2-yl)sulfanylacetamide
PubChem CID30850344
Molecular FormulaC21H15F2N3O2S2
Molecular Weight443.50 g/mol
Exact Mass443.06
IUPAC NameN-(2,4-difluorophenyl)-2-(3-methyl-4-oxo-6-phenylthieno[3,2-d]pyrimidin-2-yl)sulfanylacetamide
SMILESCn1c(SCC(=O)Nc2ccc(F)cc2F)nc2cc(-c3ccccc3)sc2c1=O
InChIInChI=1S/C21H15F2N3O2S2/c1-26-20(28)19-16(10-17(30-19)12-5-3-2-4-6-12)25-21(26)29-11-18(27)24-15-8-7-13(22)9-14(15)23/h2-10H,11H2,1H3,(H,24,27)
InChIKeyKVAXRAYCYZTZJT-UHFFFAOYSA-N
XLogP4.67
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.50
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(2,4-difluorophenyl)-2-(3-methyl-4-oxo-6-phenylthieno[3,2-d]pyrimidin-2-yl)sulfanylacetamide 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

N-(4-chlorophenyl)-2-(3-methyl-4-oxo-6-phenylthieno[3,2-d]pyrimidin-2-yl)sulfanylacetamide
CID 30850347
N-(3-bromophenyl)-2-(3-methyl-4-oxo-6-phenylthieno[3,2-d]pyrimidin-2-yl)sulfanylacetamide
CID 30850348
N-(3,4-dimethoxyphenyl)-2-(3-methyl-4-oxo-6-phenylthieno[3,2-d]pyrimidin-2-yl)sulfanylacetamide
CID 30850325
2-(3-methyl-4-oxo-6-phenylthieno[3,2-d]pyrimidin-2-yl)sulfanyl-N-(2-phenylethyl)acetamide
CID 50828460
N-(4-fluoro-2-methylphenyl)-2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylacetamide
CID 46925055
N-(2,4-difluorophenyl)-2-(4-oxo-3-propylquinazolin-2-yl)sulfanylacetamide
CID 9329888
N-(2,4-difluorophenyl)-2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylacetamide
CID 4673947
2-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-3-methyl-6-phenylthieno[3,2-d]pyrimidin-4-one
CID 30850366
methyl 3-[2-[2-(2,4-difluoroanilino)-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]propanoate
CID 18776453
N-(2,4-difluorophenyl)-2-[4-oxo-3-(2-thiophen-2-ylethyl)quinazolin-2-yl]sulfanylacetamide
CID 46925665
3-methyl-2-[(2-methylphenyl)methylsulfanyl]-6-phenylthieno[3,2-d]pyrimidin-4-one
CID 46384815
N-(4-fluoro-2-nitrophenyl)-2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylacetamide
CID 3953213

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-2-(3-methyl-4-oxo-6-phenylthieno[3,2-d]pyrimidin-2-yl)sulfanylacetamide?
The IUPAC name of N-(2,4-difluorophenyl)-2-(3-methyl-4-oxo-6-phenylthieno[3,2-d]pyrimidin-2-yl)sulfanylacetamide (CID 30850344) is N-(2,4-difluorophenyl)-2-(3-methyl-4-oxo-6-phenylthieno[3,2-d]pyrimidin-2-yl)sulfanylacetamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-2-(3-methyl-4-oxo-6-phenylthieno[3,2-d]pyrimidin-2-yl)sulfanylacetamide?
The canonical SMILES for N-(2,4-difluorophenyl)-2-(3-methyl-4-oxo-6-phenylthieno[3,2-d]pyrimidin-2-yl)sulfanylacetamide is Cn1c(SCC(=O)Nc2ccc(F)cc2F)nc2cc(-c3ccccc3)sc2c1=O.
What is the InChIKey of N-(2,4-difluorophenyl)-2-(3-methyl-4-oxo-6-phenylthieno[3,2-d]pyrimidin-2-yl)sulfanylacetamide?
The InChIKey is KVAXRAYCYZTZJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F2N3O2S2/c1-26-20(28)19-16(10-17(30-19)12-5-3-2-4-6-12)25-21(26)29-11-18(27)24-15-8-7-13(22)9-14(15)23/h2-10H,11H2,1H3,(H,24,27).
What are the key properties of N-(2,4-difluorophenyl)-2-(3-methyl-4-oxo-6-phenylthieno[3,2-d]pyrimidin-2-yl)sulfanylacetamide?
N-(2,4-difluorophenyl)-2-(3-methyl-4-oxo-6-phenylthieno[3,2-d]pyrimidin-2-yl)sulfanylacetamide has a molecular weight of 443.50 g/mol, XLogP of 4.67, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-2-(3-methyl-4-oxo-6-phenylthieno[3,2-d]pyrimidin-2-yl)sulfanylacetamide is sourced from PubChem (CID 30850344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).