N-(3,5-dimethoxyphenyl)-3-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)propanamide

C17H17N3O5S — CID 2134608

IUPACN-(3,5-dimethoxyphenyl)-3-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)propanamide
SMILESCOc1cc(NC(=O)CCn2c(=O)[nH]c3ccsc3c2=O)cc(OC)c1
InChIInChI=1S/C17H17N3O5S/c1-24-11-7-10(8-12(9-11)25-2)18-14(21)3-5-20-16(22)15-13(4-6-26-15)19-17(20)23/h4,6-9H,3,5H2,1-2H3,(H,18,21)(H,19,23)
InChIKeyFBFNXWHGWLOYQE-UHFFFAOYSA-N
MW375.41 g/mol
LogP1.80
Rot. Bonds6

About N-(3,5-dimethoxyphenyl)-3-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)propanamide

N-(3,5-dimethoxyphenyl)-3-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)propanamide (PubChem CID 2134608) has the molecular formula C17H17N3O5S and a molecular weight of 375.41 g/mol. Its IUPAC name is N-(3,5-dimethoxyphenyl)-3-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)propanamide.

Molecular Properties

Compound NameN-(3,5-dimethoxyphenyl)-3-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)propanamide
PubChem CID2134608
Molecular FormulaC17H17N3O5S
Molecular Weight375.41 g/mol
Exact Mass375.09
IUPAC NameN-(3,5-dimethoxyphenyl)-3-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)propanamide
SMILESCOc1cc(NC(=O)CCn2c(=O)[nH]c3ccsc3c2=O)cc(OC)c1
InChIInChI=1S/C17H17N3O5S/c1-24-11-7-10(8-12(9-11)25-2)18-14(21)3-5-20-16(22)15-13(4-6-26-15)19-17(20)23/h4,6-9H,3,5H2,1-2H3,(H,18,21)(H,19,23)
InChIKeyFBFNXWHGWLOYQE-UHFFFAOYSA-N
XLogP1.80
TPSA102.42 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.41
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethoxyphenyl)-3-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)propanamide?
The IUPAC name of N-(3,5-dimethoxyphenyl)-3-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)propanamide (CID 2134608) is N-(3,5-dimethoxyphenyl)-3-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)propanamide.
What is the SMILES notation for N-(3,5-dimethoxyphenyl)-3-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)propanamide?
The canonical SMILES for N-(3,5-dimethoxyphenyl)-3-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)propanamide is COc1cc(NC(=O)CCn2c(=O)[nH]c3ccsc3c2=O)cc(OC)c1.
What is the InChIKey of N-(3,5-dimethoxyphenyl)-3-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)propanamide?
The InChIKey is FBFNXWHGWLOYQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O5S/c1-24-11-7-10(8-12(9-11)25-2)18-14(21)3-5-20-16(22)15-13(4-6-26-15)19-17(20)23/h4,6-9H,3,5H2,1-2H3,(H,18,21)(H,19,23).
What are the key properties of N-(3,5-dimethoxyphenyl)-3-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)propanamide?
N-(3,5-dimethoxyphenyl)-3-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)propanamide has a molecular weight of 375.41 g/mol, XLogP of 1.80, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethoxyphenyl)-3-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)propanamide is sourced from PubChem (CID 2134608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).