methyl 2-[methyl-[2-(4-oxothieno[3,2-d]pyrimidin-3-yl)acetyl]amino]benzoate

C17H15N3O4S — CID 42089654

IUPACmethyl 2-[methyl-[2-(4-oxothieno[3,2-d]pyrimidin-3-yl)acetyl]amino]benzoate
SMILESCOC(=O)c1ccccc1N(C)C(=O)Cn1cnc2ccsc2c1=O
InChIInChI=1S/C17H15N3O4S/c1-19(13-6-4-3-5-11(13)17(23)24-2)14(21)9-20-10-18-12-7-8-25-15(12)16(20)22/h3-8,10H,9H2,1-2H3
InChIKeyFODNCEYMRNGJIO-UHFFFAOYSA-N
MW357.39 g/mol
LogP1.91
Rot. Bonds4

About methyl 2-[methyl-[2-(4-oxothieno[3,2-d]pyrimidin-3-yl)acetyl]amino]benzoate

methyl 2-[methyl-[2-(4-oxothieno[3,2-d]pyrimidin-3-yl)acetyl]amino]benzoate (PubChem CID 42089654) has the molecular formula C17H15N3O4S and a molecular weight of 357.39 g/mol. Its IUPAC name is methyl 2-[methyl-[2-(4-oxothieno[3,2-d]pyrimidin-3-yl)acetyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[methyl-[2-(4-oxothieno[3,2-d]pyrimidin-3-yl)acetyl]amino]benzoate
PubChem CID42089654
Molecular FormulaC17H15N3O4S
Molecular Weight357.39 g/mol
Exact Mass357.08
IUPAC Namemethyl 2-[methyl-[2-(4-oxothieno[3,2-d]pyrimidin-3-yl)acetyl]amino]benzoate
SMILESCOC(=O)c1ccccc1N(C)C(=O)Cn1cnc2ccsc2c1=O
InChIInChI=1S/C17H15N3O4S/c1-19(13-6-4-3-5-11(13)17(23)24-2)14(21)9-20-10-18-12-7-8-25-15(12)16(20)22/h3-8,10H,9H2,1-2H3
InChIKeyFODNCEYMRNGJIO-UHFFFAOYSA-N
XLogP1.91
TPSA81.50 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.39
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze methyl 2-[methyl-[2-(4-oxothieno[3,2-d]pyrimidin-3-yl)acetyl]amino]benzoate with MolForge

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Related Compounds

ethyl 2-[[2-(4-oxothieno[3,2-d]pyrimidin-3-yl)acetyl]amino]benzoate
CID 17414187
3-[2-(2-fluorophenyl)-2-oxoethyl]thieno[3,2-d]pyrimidin-4-one
CID 33278023
3-(2-oxo-3-phenylpropyl)thieno[3,2-d]pyrimidin-4-one
CID 62023205
methyl 2-[[2-(3-cyano-1,2,4-triazol-1-yl)acetyl]-methylamino]benzoate
CID 51531290
methyl 2-[methyl-(2-methylsulfanylacetyl)amino]benzoate
CID 43423111
3-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]thieno[3,2-d]pyrimidin-4-one
CID 60700955
3-[2-(2,4-dimethoxyphenyl)-2-oxoethyl]thieno[3,2-d]pyrimidin-4-one
CID 18123501
3-methyl-4-(4-oxothieno[3,2-d]pyrimidin-3-yl)but-2-enoic acid
CID 77005789
butyl 2-(4-oxothieno[3,2-d]pyrimidin-3-yl)acetate
CID 54940897
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-2-(4-oxothieno[3,2-d]pyrimidin-3-yl)acetamide
CID 17486924
3-[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl]thieno[3,2-d]pyrimidin-4-one
CID 18123516
3-[(2-methoxyphenyl)methyl]thieno[3,2-d]pyrimidin-4-one
CID 33278584

Frequently Asked Questions

What is the IUPAC name of methyl 2-[methyl-[2-(4-oxothieno[3,2-d]pyrimidin-3-yl)acetyl]amino]benzoate?
The IUPAC name of methyl 2-[methyl-[2-(4-oxothieno[3,2-d]pyrimidin-3-yl)acetyl]amino]benzoate (CID 42089654) is methyl 2-[methyl-[2-(4-oxothieno[3,2-d]pyrimidin-3-yl)acetyl]amino]benzoate.
What is the SMILES notation for methyl 2-[methyl-[2-(4-oxothieno[3,2-d]pyrimidin-3-yl)acetyl]amino]benzoate?
The canonical SMILES for methyl 2-[methyl-[2-(4-oxothieno[3,2-d]pyrimidin-3-yl)acetyl]amino]benzoate is COC(=O)c1ccccc1N(C)C(=O)Cn1cnc2ccsc2c1=O.
What is the InChIKey of methyl 2-[methyl-[2-(4-oxothieno[3,2-d]pyrimidin-3-yl)acetyl]amino]benzoate?
The InChIKey is FODNCEYMRNGJIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O4S/c1-19(13-6-4-3-5-11(13)17(23)24-2)14(21)9-20-10-18-12-7-8-25-15(12)16(20)22/h3-8,10H,9H2,1-2H3.
What are the key properties of methyl 2-[methyl-[2-(4-oxothieno[3,2-d]pyrimidin-3-yl)acetyl]amino]benzoate?
methyl 2-[methyl-[2-(4-oxothieno[3,2-d]pyrimidin-3-yl)acetyl]amino]benzoate has a molecular weight of 357.39 g/mol, XLogP of 1.91, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[methyl-[2-(4-oxothieno[3,2-d]pyrimidin-3-yl)acetyl]amino]benzoate is sourced from PubChem (CID 42089654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).