N-[2-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)ethyl]-7-methoxy-1-benzofuran-2-carboxamide

C18H15N3O5S — CID 91818861

IUPACN-[2-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)ethyl]-7-methoxy-1-benzofuran-2-carboxamide
SMILESCOc1cccc2cc(C(=O)NCCn3c(=O)[nH]c4ccsc4c3=O)oc12
InChIInChI=1S/C18H15N3O5S/c1-25-12-4-2-3-10-9-13(26-14(10)12)16(22)19-6-7-21-17(23)15-11(5-8-27-15)20-18(21)24/h2-5,8-9H,6-7H2,1H3,(H,19,22)(H,20,24)
InChIKeyARCPSJROEPPEMO-UHFFFAOYSA-N
MW385.40 g/mol
LogP1.94
Rot. Bonds5

About N-[2-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)ethyl]-7-methoxy-1-benzofuran-2-carboxamide

N-[2-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)ethyl]-7-methoxy-1-benzofuran-2-carboxamide (PubChem CID 91818861) has the molecular formula C18H15N3O5S and a molecular weight of 385.40 g/mol. Its IUPAC name is N-[2-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)ethyl]-7-methoxy-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[2-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)ethyl]-7-methoxy-1-benzofuran-2-carboxamide
PubChem CID91818861
Molecular FormulaC18H15N3O5S
Molecular Weight385.40 g/mol
Exact Mass385.07
IUPAC NameN-[2-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)ethyl]-7-methoxy-1-benzofuran-2-carboxamide
SMILESCOc1cccc2cc(C(=O)NCCn3c(=O)[nH]c4ccsc4c3=O)oc12
InChIInChI=1S/C18H15N3O5S/c1-25-12-4-2-3-10-9-13(26-14(10)12)16(22)19-6-7-21-17(23)15-11(5-8-27-15)20-18(21)24/h2-5,8-9H,6-7H2,1H3,(H,19,22)(H,20,24)
InChIKeyARCPSJROEPPEMO-UHFFFAOYSA-N
XLogP1.94
TPSA106.33 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.40
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)ethyl]-7-methoxy-1-benzofuran-2-carboxamide?
The IUPAC name of N-[2-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)ethyl]-7-methoxy-1-benzofuran-2-carboxamide (CID 91818861) is N-[2-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)ethyl]-7-methoxy-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[2-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)ethyl]-7-methoxy-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[2-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)ethyl]-7-methoxy-1-benzofuran-2-carboxamide is COc1cccc2cc(C(=O)NCCn3c(=O)[nH]c4ccsc4c3=O)oc12.
What is the InChIKey of N-[2-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)ethyl]-7-methoxy-1-benzofuran-2-carboxamide?
The InChIKey is ARCPSJROEPPEMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O5S/c1-25-12-4-2-3-10-9-13(26-14(10)12)16(22)19-6-7-21-17(23)15-11(5-8-27-15)20-18(21)24/h2-5,8-9H,6-7H2,1H3,(H,19,22)(H,20,24).
What are the key properties of N-[2-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)ethyl]-7-methoxy-1-benzofuran-2-carboxamide?
N-[2-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)ethyl]-7-methoxy-1-benzofuran-2-carboxamide has a molecular weight of 385.40 g/mol, XLogP of 1.94, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)ethyl]-7-methoxy-1-benzofuran-2-carboxamide is sourced from PubChem (CID 91818861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).