3-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)-N-[(2-methoxyphenyl)methyl]propanamide

C17H17N3O4S — CID 3235634

IUPAC3-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)-N-[(2-methoxyphenyl)methyl]propanamide
SMILESCOc1ccccc1CNC(=O)CCn1c(=O)[nH]c2ccsc2c1=O
InChIInChI=1S/C17H17N3O4S/c1-24-13-5-3-2-4-11(13)10-18-14(21)6-8-20-16(22)15-12(7-9-25-15)19-17(20)23/h2-5,7,9H,6,8,10H2,1H3,(H,18,21)(H,19,23)
InChIKeyALGPHOUNWIZIOQ-UHFFFAOYSA-N
MW359.41 g/mol
LogP1.47
Rot. Bonds6

About 3-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)-N-[(2-methoxyphenyl)methyl]propanamide

3-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)-N-[(2-methoxyphenyl)methyl]propanamide (PubChem CID 3235634) has the molecular formula C17H17N3O4S and a molecular weight of 359.41 g/mol. Its IUPAC name is 3-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)-N-[(2-methoxyphenyl)methyl]propanamide.

Molecular Properties

Compound Name3-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)-N-[(2-methoxyphenyl)methyl]propanamide
PubChem CID3235634
Molecular FormulaC17H17N3O4S
Molecular Weight359.41 g/mol
Exact Mass359.09
IUPAC Name3-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)-N-[(2-methoxyphenyl)methyl]propanamide
SMILESCOc1ccccc1CNC(=O)CCn1c(=O)[nH]c2ccsc2c1=O
InChIInChI=1S/C17H17N3O4S/c1-24-13-5-3-2-4-11(13)10-18-14(21)6-8-20-16(22)15-12(7-9-25-15)19-17(20)23/h2-5,7,9H,6,8,10H2,1H3,(H,18,21)(H,19,23)
InChIKeyALGPHOUNWIZIOQ-UHFFFAOYSA-N
XLogP1.47
TPSA93.19 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.41
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)-N-[(2-methoxyphenyl)methyl]propanamide?
The IUPAC name of 3-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)-N-[(2-methoxyphenyl)methyl]propanamide (CID 3235634) is 3-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)-N-[(2-methoxyphenyl)methyl]propanamide.
What is the SMILES notation for 3-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)-N-[(2-methoxyphenyl)methyl]propanamide?
The canonical SMILES for 3-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)-N-[(2-methoxyphenyl)methyl]propanamide is COc1ccccc1CNC(=O)CCn1c(=O)[nH]c2ccsc2c1=O.
What is the InChIKey of 3-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)-N-[(2-methoxyphenyl)methyl]propanamide?
The InChIKey is ALGPHOUNWIZIOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O4S/c1-24-13-5-3-2-4-11(13)10-18-14(21)6-8-20-16(22)15-12(7-9-25-15)19-17(20)23/h2-5,7,9H,6,8,10H2,1H3,(H,18,21)(H,19,23).
What are the key properties of 3-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)-N-[(2-methoxyphenyl)methyl]propanamide?
3-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)-N-[(2-methoxyphenyl)methyl]propanamide has a molecular weight of 359.41 g/mol, XLogP of 1.47, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)-N-[(2-methoxyphenyl)methyl]propanamide is sourced from PubChem (CID 3235634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).