N-methyl-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]-2-phenylsulfanylacetamide

C16H15N3O2S2 — CID 137294321

IUPACN-methyl-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]-2-phenylsulfanylacetamide
SMILESCN(Cc1nc2ccsc2c(=O)[nH]1)C(=O)CSc1ccccc1
InChIInChI=1S/C16H15N3O2S2/c1-19(14(20)10-23-11-5-3-2-4-6-11)9-13-17-12-7-8-22-15(12)16(21)18-13/h2-8H,9-10H2,1H3,(H,17,18,21)
InChIKeyICWNHLBLLACIFI-UHFFFAOYSA-N
MW345.45 g/mol
LogP2.74
Rot. Bonds5

About N-methyl-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]-2-phenylsulfanylacetamide

N-methyl-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]-2-phenylsulfanylacetamide (PubChem CID 137294321) has the molecular formula C16H15N3O2S2 and a molecular weight of 345.45 g/mol. Its IUPAC name is N-methyl-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]-2-phenylsulfanylacetamide.

Molecular Properties

Compound NameN-methyl-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]-2-phenylsulfanylacetamide
PubChem CID137294321
Molecular FormulaC16H15N3O2S2
Molecular Weight345.45 g/mol
Exact Mass345.06
IUPAC NameN-methyl-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]-2-phenylsulfanylacetamide
SMILESCN(Cc1nc2ccsc2c(=O)[nH]1)C(=O)CSc1ccccc1
InChIInChI=1S/C16H15N3O2S2/c1-19(14(20)10-23-11-5-3-2-4-6-11)9-13-17-12-7-8-22-15(12)16(21)18-13/h2-8H,9-10H2,1H3,(H,17,18,21)
InChIKeyICWNHLBLLACIFI-UHFFFAOYSA-N
XLogP2.74
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]-3,3-diphenylpropanamide
CID 135955544
N-methyl-4-oxo-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]-4-phenylbutanamide
CID 135893882
2-[2-[methyl-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]amino]-2-oxoethoxy]acetic acid
CID 135985121
2-(1,4-dioxo-3H-phthalazin-2-yl)-N-methyl-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]acetamide
CID 137294307
2-(4-fluorophenyl)sulfanyl-N-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide
CID 135549167
N-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-2-pyridin-4-ylsulfanylacetamide
CID 135907474
2-amino-N-[2-[methyl-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]amino]-2-oxoethyl]acetamide
CID 135968768
N-methyl-2-[(3-methylphenyl)methylsulfanyl]-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]acetamide
CID 137294316
N-methyl-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]-3-(1-phenylpyrazol-4-yl)propanamide
CID 137294411
N-methyl-2-(4-oxo-2,3-dihydro-1,5-benzoxazepin-5-yl)-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]acetamide
CID 135926950
N-methyl-4-(methylamino)-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]butanamide
CID 135968758
2-methoxy-N-methyl-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]propanamide
CID 136967428

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]-2-phenylsulfanylacetamide?
The IUPAC name of N-methyl-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]-2-phenylsulfanylacetamide (CID 137294321) is N-methyl-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]-2-phenylsulfanylacetamide.
What is the SMILES notation for N-methyl-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]-2-phenylsulfanylacetamide?
The canonical SMILES for N-methyl-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]-2-phenylsulfanylacetamide is CN(Cc1nc2ccsc2c(=O)[nH]1)C(=O)CSc1ccccc1.
What is the InChIKey of N-methyl-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]-2-phenylsulfanylacetamide?
The InChIKey is ICWNHLBLLACIFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2S2/c1-19(14(20)10-23-11-5-3-2-4-6-11)9-13-17-12-7-8-22-15(12)16(21)18-13/h2-8H,9-10H2,1H3,(H,17,18,21).
What are the key properties of N-methyl-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]-2-phenylsulfanylacetamide?
N-methyl-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]-2-phenylsulfanylacetamide has a molecular weight of 345.45 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]-2-phenylsulfanylacetamide is sourced from PubChem (CID 137294321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).