3-chloro-N-(2-methyl-1,3-dioxoisoindol-5-yl)-1-benzothiophene-2-carboxamide

C18H11ClN2O3S — CID 1322308

IUPAC3-chloro-N-(2-methyl-1,3-dioxoisoindol-5-yl)-1-benzothiophene-2-carboxamide
SMILESCN1C(=O)c2ccc(NC(=O)c3sc4ccccc4c3Cl)cc2C1=O
InChIInChI=1S/C18H11ClN2O3S/c1-21-17(23)10-7-6-9(8-12(10)18(21)24)20-16(22)15-14(19)11-4-2-3-5-13(11)25-15/h2-8H,1H3,(H,20,22)
InChIKeyIMBJCSQPBMTVIL-UHFFFAOYSA-N
MW370.82 g/mol
LogP4.03
Rot. Bonds2

About 3-chloro-N-(2-methyl-1,3-dioxoisoindol-5-yl)-1-benzothiophene-2-carboxamide

3-chloro-N-(2-methyl-1,3-dioxoisoindol-5-yl)-1-benzothiophene-2-carboxamide (PubChem CID 1322308) has the molecular formula C18H11ClN2O3S and a molecular weight of 370.82 g/mol. Its IUPAC name is 3-chloro-N-(2-methyl-1,3-dioxoisoindol-5-yl)-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name3-chloro-N-(2-methyl-1,3-dioxoisoindol-5-yl)-1-benzothiophene-2-carboxamide
PubChem CID1322308
Molecular FormulaC18H11ClN2O3S
Molecular Weight370.82 g/mol
Exact Mass370.02
IUPAC Name3-chloro-N-(2-methyl-1,3-dioxoisoindol-5-yl)-1-benzothiophene-2-carboxamide
SMILESCN1C(=O)c2ccc(NC(=O)c3sc4ccccc4c3Cl)cc2C1=O
InChIInChI=1S/C18H11ClN2O3S/c1-21-17(23)10-7-6-9(8-12(10)18(21)24)20-16(22)15-14(19)11-4-2-3-5-13(11)25-15/h2-8H,1H3,(H,20,22)
InChIKeyIMBJCSQPBMTVIL-UHFFFAOYSA-N
XLogP4.03
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.82
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

3-chloro-N-(4-phenylphenyl)-1-benzothiophene-2-carboxamide
CID 3128607
4-fluoro-N-(2-methyl-1,3-dioxoisoindol-5-yl)-1-benzothiophene-2-carboxamide
CID 31508762
3-chloro-N-(3-methylphenyl)-1-benzothiophene-2-carboxamide
CID 607033
N-(3-acetylphenyl)-3-chloro-1-benzothiophene-2-carboxamide
CID 681064
5-chloro-N-(2-methyl-1,3-dioxoisoindol-5-yl)thiophene-2-carboxamide
CID 31508122
3-chloro-N-(3-hydroxyphenyl)-1-benzothiophene-2-carboxamide
CID 78796805
N-(3-bromophenyl)-3-chloro-1-benzothiophene-2-carboxamide
CID 607008
3,5-dichloro-N-(2-methyl-1,3-dioxoisoindol-5-yl)benzamide
CID 3479258
3-chloro-N-(1,4-dimethyl-2,3-dioxo-7-piperidin-1-ylquinoxalin-6-yl)-1-benzothiophene-2-carboxamide
CID 35397504
N-(3-benzamido-4-methylphenyl)-3-chloro-1-benzothiophene-2-carboxamide
CID 1348159
3-chloro-N-[3-chloro-4-(2-oxochromen-3-yl)phenyl]-1-benzothiophene-2-carboxamide
CID 2222008
3-methyl-N-(2-methyl-1,3-dioxoisoindol-5-yl)-4-oxophthalazine-1-carboxamide
CID 31508107

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(2-methyl-1,3-dioxoisoindol-5-yl)-1-benzothiophene-2-carboxamide?
The IUPAC name of 3-chloro-N-(2-methyl-1,3-dioxoisoindol-5-yl)-1-benzothiophene-2-carboxamide (CID 1322308) is 3-chloro-N-(2-methyl-1,3-dioxoisoindol-5-yl)-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 3-chloro-N-(2-methyl-1,3-dioxoisoindol-5-yl)-1-benzothiophene-2-carboxamide?
The canonical SMILES for 3-chloro-N-(2-methyl-1,3-dioxoisoindol-5-yl)-1-benzothiophene-2-carboxamide is CN1C(=O)c2ccc(NC(=O)c3sc4ccccc4c3Cl)cc2C1=O.
What is the InChIKey of 3-chloro-N-(2-methyl-1,3-dioxoisoindol-5-yl)-1-benzothiophene-2-carboxamide?
The InChIKey is IMBJCSQPBMTVIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11ClN2O3S/c1-21-17(23)10-7-6-9(8-12(10)18(21)24)20-16(22)15-14(19)11-4-2-3-5-13(11)25-15/h2-8H,1H3,(H,20,22).
What are the key properties of 3-chloro-N-(2-methyl-1,3-dioxoisoindol-5-yl)-1-benzothiophene-2-carboxamide?
3-chloro-N-(2-methyl-1,3-dioxoisoindol-5-yl)-1-benzothiophene-2-carboxamide has a molecular weight of 370.82 g/mol, XLogP of 4.03, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(2-methyl-1,3-dioxoisoindol-5-yl)-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 1322308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).