5-chloro-N-(2-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-1-benzofuran-2-carboxamide

C16H10ClN3O3S — CID 17397522

IUPAC5-chloro-N-(2-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-1-benzofuran-2-carboxamide
SMILESCc1nc2sccc2c(=O)n1NC(=O)c1cc2cc(Cl)ccc2o1
InChIInChI=1S/C16H10ClN3O3S/c1-8-18-15-11(4-5-24-15)16(22)20(8)19-14(21)13-7-9-6-10(17)2-3-12(9)23-13/h2-7H,1H3,(H,19,21)
InChIKeyNPAZQZANEZHAKW-UHFFFAOYSA-N
MW359.79 g/mol
LogP3.55
Rot. Bonds2

About 5-chloro-N-(2-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-1-benzofuran-2-carboxamide

5-chloro-N-(2-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-1-benzofuran-2-carboxamide (PubChem CID 17397522) has the molecular formula C16H10ClN3O3S and a molecular weight of 359.79 g/mol. Its IUPAC name is 5-chloro-N-(2-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(2-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-1-benzofuran-2-carboxamide
PubChem CID17397522
Molecular FormulaC16H10ClN3O3S
Molecular Weight359.79 g/mol
Exact Mass359.01
IUPAC Name5-chloro-N-(2-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-1-benzofuran-2-carboxamide
SMILESCc1nc2sccc2c(=O)n1NC(=O)c1cc2cc(Cl)ccc2o1
InChIInChI=1S/C16H10ClN3O3S/c1-8-18-15-11(4-5-24-15)16(22)20(8)19-14(21)13-7-9-6-10(17)2-3-12(9)23-13/h2-7H,1H3,(H,19,21)
InChIKeyNPAZQZANEZHAKW-UHFFFAOYSA-N
XLogP3.55
TPSA77.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.79
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-1-benzofuran-2-carboxamide?
The IUPAC name of 5-chloro-N-(2-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-1-benzofuran-2-carboxamide (CID 17397522) is 5-chloro-N-(2-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for 5-chloro-N-(2-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-1-benzofuran-2-carboxamide?
The canonical SMILES for 5-chloro-N-(2-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-1-benzofuran-2-carboxamide is Cc1nc2sccc2c(=O)n1NC(=O)c1cc2cc(Cl)ccc2o1.
What is the InChIKey of 5-chloro-N-(2-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-1-benzofuran-2-carboxamide?
The InChIKey is NPAZQZANEZHAKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClN3O3S/c1-8-18-15-11(4-5-24-15)16(22)20(8)19-14(21)13-7-9-6-10(17)2-3-12(9)23-13/h2-7H,1H3,(H,19,21).
What are the key properties of 5-chloro-N-(2-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-1-benzofuran-2-carboxamide?
5-chloro-N-(2-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-1-benzofuran-2-carboxamide has a molecular weight of 359.79 g/mol, XLogP of 3.55, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 17397522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).