N-(4-carbamoylphenyl)-3-chloro-6-methoxy-1-benzothiophene-2-carboxamide

C17H13ClN2O3S — CID 1013917

IUPACN-(4-carbamoylphenyl)-3-chloro-6-methoxy-1-benzothiophene-2-carboxamide
SMILESCOc1ccc2c(Cl)c(C(=O)Nc3ccc(C(N)=O)cc3)sc2c1
InChIInChI=1S/C17H13ClN2O3S/c1-23-11-6-7-12-13(8-11)24-15(14(12)18)17(22)20-10-4-2-9(3-5-10)16(19)21/h2-8H,1H3,(H2,19,21)(H,20,22)
InChIKeyHOPNYIJVUVHJSE-UHFFFAOYSA-N
MW360.82 g/mol
LogP3.91
Rot. Bonds4

About N-(4-carbamoylphenyl)-3-chloro-6-methoxy-1-benzothiophene-2-carboxamide

N-(4-carbamoylphenyl)-3-chloro-6-methoxy-1-benzothiophene-2-carboxamide (PubChem CID 1013917) has the molecular formula C17H13ClN2O3S and a molecular weight of 360.82 g/mol. Its IUPAC name is N-(4-carbamoylphenyl)-3-chloro-6-methoxy-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-(4-carbamoylphenyl)-3-chloro-6-methoxy-1-benzothiophene-2-carboxamide
PubChem CID1013917
Molecular FormulaC17H13ClN2O3S
Molecular Weight360.82 g/mol
Exact Mass360.03
IUPAC NameN-(4-carbamoylphenyl)-3-chloro-6-methoxy-1-benzothiophene-2-carboxamide
SMILESCOc1ccc2c(Cl)c(C(=O)Nc3ccc(C(N)=O)cc3)sc2c1
InChIInChI=1S/C17H13ClN2O3S/c1-23-11-6-7-12-13(8-11)24-15(14(12)18)17(22)20-10-4-2-9(3-5-10)16(19)21/h2-8H,1H3,(H2,19,21)(H,20,22)
InChIKeyHOPNYIJVUVHJSE-UHFFFAOYSA-N
XLogP3.91
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.82
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-carbamoylphenyl)-3-chloro-6-methoxy-1-benzothiophene-2-carboxamide?
The IUPAC name of N-(4-carbamoylphenyl)-3-chloro-6-methoxy-1-benzothiophene-2-carboxamide (CID 1013917) is N-(4-carbamoylphenyl)-3-chloro-6-methoxy-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-(4-carbamoylphenyl)-3-chloro-6-methoxy-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-(4-carbamoylphenyl)-3-chloro-6-methoxy-1-benzothiophene-2-carboxamide is COc1ccc2c(Cl)c(C(=O)Nc3ccc(C(N)=O)cc3)sc2c1.
What is the InChIKey of N-(4-carbamoylphenyl)-3-chloro-6-methoxy-1-benzothiophene-2-carboxamide?
The InChIKey is HOPNYIJVUVHJSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN2O3S/c1-23-11-6-7-12-13(8-11)24-15(14(12)18)17(22)20-10-4-2-9(3-5-10)16(19)21/h2-8H,1H3,(H2,19,21)(H,20,22).
What are the key properties of N-(4-carbamoylphenyl)-3-chloro-6-methoxy-1-benzothiophene-2-carboxamide?
N-(4-carbamoylphenyl)-3-chloro-6-methoxy-1-benzothiophene-2-carboxamide has a molecular weight of 360.82 g/mol, XLogP of 3.91, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-carbamoylphenyl)-3-chloro-6-methoxy-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 1013917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).