4-chloro-2-methyl-N-(4-methyl-1,2,5-oxadiazol-3-yl)-1,1-dioxo-1-benzothiophene-5-carboxamide

C13H10ClN3O4S — CID 73297092

IUPAC4-chloro-2-methyl-N-(4-methyl-1,2,5-oxadiazol-3-yl)-1,1-dioxo-1-benzothiophene-5-carboxamide
SMILESCC1=Cc2c(ccc(C(=O)Nc3nonc3C)c2Cl)S1(=O)=O
InChIInChI=1S/C13H10ClN3O4S/c1-6-5-9-10(22(6,19)20)4-3-8(11(9)14)13(18)15-12-7(2)16-21-17-12/h3-5H,1-2H3,(H,15,17,18)
InChIKeyMUYFRWMTXXQZEO-UHFFFAOYSA-N
MW339.76 g/mol
LogP2.43
Rot. Bonds2

About 4-chloro-2-methyl-N-(4-methyl-1,2,5-oxadiazol-3-yl)-1,1-dioxo-1-benzothiophene-5-carboxamide

4-chloro-2-methyl-N-(4-methyl-1,2,5-oxadiazol-3-yl)-1,1-dioxo-1-benzothiophene-5-carboxamide (PubChem CID 73297092) has the molecular formula C13H10ClN3O4S and a molecular weight of 339.76 g/mol. Its IUPAC name is 4-chloro-2-methyl-N-(4-methyl-1,2,5-oxadiazol-3-yl)-1,1-dioxo-1-benzothiophene-5-carboxamide.

Molecular Properties

Compound Name4-chloro-2-methyl-N-(4-methyl-1,2,5-oxadiazol-3-yl)-1,1-dioxo-1-benzothiophene-5-carboxamide
PubChem CID73297092
Molecular FormulaC13H10ClN3O4S
Molecular Weight339.76 g/mol
Exact Mass339.01
IUPAC Name4-chloro-2-methyl-N-(4-methyl-1,2,5-oxadiazol-3-yl)-1,1-dioxo-1-benzothiophene-5-carboxamide
SMILESCC1=Cc2c(ccc(C(=O)Nc3nonc3C)c2Cl)S1(=O)=O
InChIInChI=1S/C13H10ClN3O4S/c1-6-5-9-10(22(6,19)20)4-3-8(11(9)14)13(18)15-12-7(2)16-21-17-12/h3-5H,1-2H3,(H,15,17,18)
InChIKeyMUYFRWMTXXQZEO-UHFFFAOYSA-N
XLogP2.43
TPSA102.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.76
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-methyl-N-(4-methyl-1,2,5-oxadiazol-3-yl)-1,1-dioxo-1-benzothiophene-5-carboxamide?
The IUPAC name of 4-chloro-2-methyl-N-(4-methyl-1,2,5-oxadiazol-3-yl)-1,1-dioxo-1-benzothiophene-5-carboxamide (CID 73297092) is 4-chloro-2-methyl-N-(4-methyl-1,2,5-oxadiazol-3-yl)-1,1-dioxo-1-benzothiophene-5-carboxamide.
What is the SMILES notation for 4-chloro-2-methyl-N-(4-methyl-1,2,5-oxadiazol-3-yl)-1,1-dioxo-1-benzothiophene-5-carboxamide?
The canonical SMILES for 4-chloro-2-methyl-N-(4-methyl-1,2,5-oxadiazol-3-yl)-1,1-dioxo-1-benzothiophene-5-carboxamide is CC1=Cc2c(ccc(C(=O)Nc3nonc3C)c2Cl)S1(=O)=O.
What is the InChIKey of 4-chloro-2-methyl-N-(4-methyl-1,2,5-oxadiazol-3-yl)-1,1-dioxo-1-benzothiophene-5-carboxamide?
The InChIKey is MUYFRWMTXXQZEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClN3O4S/c1-6-5-9-10(22(6,19)20)4-3-8(11(9)14)13(18)15-12-7(2)16-21-17-12/h3-5H,1-2H3,(H,15,17,18).
What are the key properties of 4-chloro-2-methyl-N-(4-methyl-1,2,5-oxadiazol-3-yl)-1,1-dioxo-1-benzothiophene-5-carboxamide?
4-chloro-2-methyl-N-(4-methyl-1,2,5-oxadiazol-3-yl)-1,1-dioxo-1-benzothiophene-5-carboxamide has a molecular weight of 339.76 g/mol, XLogP of 2.43, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-methyl-N-(4-methyl-1,2,5-oxadiazol-3-yl)-1,1-dioxo-1-benzothiophene-5-carboxamide is sourced from PubChem (CID 73297092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).