2-(3-amino-4-oxo-5-phenylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-N,N-dimethyl-2-phenylacetamide

C22H20N4O2S2 — CID 55392501

IUPAC2-(3-amino-4-oxo-5-phenylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-N,N-dimethyl-2-phenylacetamide
SMILESCN(C)C(=O)C(Sc1nc2scc(-c3ccccc3)c2c(=O)n1N)c1ccccc1
InChIInChI=1S/C22H20N4O2S2/c1-25(2)21(28)18(15-11-7-4-8-12-15)30-22-24-19-17(20(27)26(22)23)16(13-29-19)14-9-5-3-6-10-14/h3-13,18H,23H2,1-2H3
InChIKeyBDCNJRZRIWMETL-UHFFFAOYSA-N
MW436.56 g/mol
LogP3.76
Rot. Bonds5

About 2-(3-amino-4-oxo-5-phenylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-N,N-dimethyl-2-phenylacetamide

2-(3-amino-4-oxo-5-phenylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-N,N-dimethyl-2-phenylacetamide (PubChem CID 55392501) has the molecular formula C22H20N4O2S2 and a molecular weight of 436.56 g/mol. Its IUPAC name is 2-(3-amino-4-oxo-5-phenylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-N,N-dimethyl-2-phenylacetamide.

Molecular Properties

Compound Name2-(3-amino-4-oxo-5-phenylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-N,N-dimethyl-2-phenylacetamide
PubChem CID55392501
Molecular FormulaC22H20N4O2S2
Molecular Weight436.56 g/mol
Exact Mass436.10
IUPAC Name2-(3-amino-4-oxo-5-phenylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-N,N-dimethyl-2-phenylacetamide
SMILESCN(C)C(=O)C(Sc1nc2scc(-c3ccccc3)c2c(=O)n1N)c1ccccc1
InChIInChI=1S/C22H20N4O2S2/c1-25(2)21(28)18(15-11-7-4-8-12-15)30-22-24-19-17(20(27)26(22)23)16(13-29-19)14-9-5-3-6-10-14/h3-13,18H,23H2,1-2H3
InChIKeyBDCNJRZRIWMETL-UHFFFAOYSA-N
XLogP3.76
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.56
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-(3-amino-4-oxo-5-phenylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-N,N-dimethyl-2-phenylacetamide with MolForge

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Related Compounds

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CID 7569857
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2-(3-amino-4-oxo-5-phenylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-phenylacetamide
CID 4664660
2-(3-amino-4-oxo-5-phenylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-[(2S)-pentan-2-yl]acetamide
CID 7240255
ethyl N-[2-(3-amino-4-oxo-5-phenylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetyl]carbamate
CID 3876669
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3-amino-2-[(4-fluorophenyl)methylsulfanyl]-5-phenylthieno[2,3-d]pyrimidin-4-one
CID 2416008
3-amino-2-[4-(4-fluorophenyl)-4-oxobutyl]sulfanyl-5-phenylthieno[2,3-d]pyrimidin-4-one
CID 18206568
2-(4-oxo-3,5-diphenylthieno[2,3-d]pyrimidin-2-yl)sulfanylpropanoic acid
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Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-4-oxo-5-phenylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-N,N-dimethyl-2-phenylacetamide?
The IUPAC name of 2-(3-amino-4-oxo-5-phenylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-N,N-dimethyl-2-phenylacetamide (CID 55392501) is 2-(3-amino-4-oxo-5-phenylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-N,N-dimethyl-2-phenylacetamide.
What is the SMILES notation for 2-(3-amino-4-oxo-5-phenylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-N,N-dimethyl-2-phenylacetamide?
The canonical SMILES for 2-(3-amino-4-oxo-5-phenylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-N,N-dimethyl-2-phenylacetamide is CN(C)C(=O)C(Sc1nc2scc(-c3ccccc3)c2c(=O)n1N)c1ccccc1.
What is the InChIKey of 2-(3-amino-4-oxo-5-phenylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-N,N-dimethyl-2-phenylacetamide?
The InChIKey is BDCNJRZRIWMETL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O2S2/c1-25(2)21(28)18(15-11-7-4-8-12-15)30-22-24-19-17(20(27)26(22)23)16(13-29-19)14-9-5-3-6-10-14/h3-13,18H,23H2,1-2H3.
What are the key properties of 2-(3-amino-4-oxo-5-phenylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-N,N-dimethyl-2-phenylacetamide?
2-(3-amino-4-oxo-5-phenylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-N,N-dimethyl-2-phenylacetamide has a molecular weight of 436.56 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-4-oxo-5-phenylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-N,N-dimethyl-2-phenylacetamide is sourced from PubChem (CID 55392501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).