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

C17H17N3O3S — CID 135857903

IUPACN-methyl-2-(2-methylphenoxy)-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]acetamide
SMILESCc1ccccc1OCC(=O)N(C)Cc1nc2ccsc2c(=O)[nH]1
InChIInChI=1S/C17H17N3O3S/c1-11-5-3-4-6-13(11)23-10-15(21)20(2)9-14-18-12-7-8-24-16(12)17(22)19-14/h3-8H,9-10H2,1-2H3,(H,18,19,22)
InChIKeyDVSYXZFMRQQVMD-UHFFFAOYSA-N
MW343.41 g/mol
LogP2.33
Rot. Bonds5

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

N-methyl-2-(2-methylphenoxy)-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]acetamide (PubChem CID 135857903) has the molecular formula C17H17N3O3S and a molecular weight of 343.41 g/mol. Its IUPAC name is N-methyl-2-(2-methylphenoxy)-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]acetamide.

Molecular Properties

Compound NameN-methyl-2-(2-methylphenoxy)-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]acetamide
PubChem CID135857903
Molecular FormulaC17H17N3O3S
Molecular Weight343.41 g/mol
Exact Mass343.10
IUPAC NameN-methyl-2-(2-methylphenoxy)-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]acetamide
SMILESCc1ccccc1OCC(=O)N(C)Cc1nc2ccsc2c(=O)[nH]1
InChIInChI=1S/C17H17N3O3S/c1-11-5-3-4-6-13(11)23-10-15(21)20(2)9-14-18-12-7-8-24-16(12)17(22)19-14/h3-8H,9-10H2,1-2H3,(H,18,19,22)
InChIKeyDVSYXZFMRQQVMD-UHFFFAOYSA-N
XLogP2.33
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(2-methylphenoxy)-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]acetamide?
The IUPAC name of N-methyl-2-(2-methylphenoxy)-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]acetamide (CID 135857903) is N-methyl-2-(2-methylphenoxy)-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]acetamide.
What is the SMILES notation for N-methyl-2-(2-methylphenoxy)-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]acetamide?
The canonical SMILES for N-methyl-2-(2-methylphenoxy)-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]acetamide is Cc1ccccc1OCC(=O)N(C)Cc1nc2ccsc2c(=O)[nH]1.
What is the InChIKey of N-methyl-2-(2-methylphenoxy)-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]acetamide?
The InChIKey is DVSYXZFMRQQVMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3S/c1-11-5-3-4-6-13(11)23-10-15(21)20(2)9-14-18-12-7-8-24-16(12)17(22)19-14/h3-8H,9-10H2,1-2H3,(H,18,19,22).
What are the key properties of N-methyl-2-(2-methylphenoxy)-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]acetamide?
N-methyl-2-(2-methylphenoxy)-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]acetamide has a molecular weight of 343.41 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(2-methylphenoxy)-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]acetamide is sourced from PubChem (CID 135857903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).