2-(5-chlorothiophen-2-yl)-N-(2-methyl-1,3-dioxoisoindol-5-yl)acetamide

C15H11ClN2O3S — CID 41340458

IUPAC2-(5-chlorothiophen-2-yl)-N-(2-methyl-1,3-dioxoisoindol-5-yl)acetamide
SMILESCN1C(=O)c2ccc(NC(=O)Cc3ccc(Cl)s3)cc2C1=O
InChIInChI=1S/C15H11ClN2O3S/c1-18-14(20)10-4-2-8(6-11(10)15(18)21)17-13(19)7-9-3-5-12(16)22-9/h2-6H,7H2,1H3,(H,17,19)
InChIKeyAQZQVSWBKFPISM-UHFFFAOYSA-N
MW334.78 g/mol
LogP2.81
Rot. Bonds3

About 2-(5-chlorothiophen-2-yl)-N-(2-methyl-1,3-dioxoisoindol-5-yl)acetamide

2-(5-chlorothiophen-2-yl)-N-(2-methyl-1,3-dioxoisoindol-5-yl)acetamide (PubChem CID 41340458) has the molecular formula C15H11ClN2O3S and a molecular weight of 334.78 g/mol. Its IUPAC name is 2-(5-chlorothiophen-2-yl)-N-(2-methyl-1,3-dioxoisoindol-5-yl)acetamide.

Molecular Properties

Compound Name2-(5-chlorothiophen-2-yl)-N-(2-methyl-1,3-dioxoisoindol-5-yl)acetamide
PubChem CID41340458
Molecular FormulaC15H11ClN2O3S
Molecular Weight334.78 g/mol
Exact Mass334.02
IUPAC Name2-(5-chlorothiophen-2-yl)-N-(2-methyl-1,3-dioxoisoindol-5-yl)acetamide
SMILESCN1C(=O)c2ccc(NC(=O)Cc3ccc(Cl)s3)cc2C1=O
InChIInChI=1S/C15H11ClN2O3S/c1-18-14(20)10-4-2-8(6-11(10)15(18)21)17-13(19)7-9-3-5-12(16)22-9/h2-6H,7H2,1H3,(H,17,19)
InChIKeyAQZQVSWBKFPISM-UHFFFAOYSA-N
XLogP2.81
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.78
LogP ≤ 52.81
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

5-chloro-N-(2-methyl-1,3-dioxoisoindol-5-yl)thiophene-2-carboxamide
CID 31508122
2-(4-fluorophenyl)-N-(2-methyl-1,3-dioxoisoindol-5-yl)acetamide
CID 7597200
3-chloro-N-(2-methyl-1,3-dioxoisoindol-5-yl)propanamide
CID 18070369
3-[(2-methyl-1,3-dioxoisoindol-5-yl)amino]-3-oxopropanoic acid
CID 62230900
2-(2-chloro-6-fluorophenyl)-N-(2-methyl-1,3-dioxoisoindol-5-yl)acetamide
CID 26906989
2-(2-fluorophenyl)-N-(2-methyl-1,3-dioxoisoindol-5-yl)acetamide
CID 26906999
N-(2-methyl-1,3-dioxoisoindol-5-yl)-2-(1-methylpyrazol-4-yl)acetamide
CID 171706171
N-(2-methyl-1,3-dioxoisoindol-5-yl)-2-(4-methylsulfonylphenyl)acetamide
CID 41139582
2-(3,4-dimethoxyphenyl)-N-(2-methyl-1,3-dioxoisoindol-5-yl)acetamide
CID 16913183
2-(5-chlorothiophen-2-yl)-N-(4-methylsulfonylphenyl)acetamide
CID 41340918
N-(1-benzothiophen-5-yl)-2-(5-chlorothiophen-2-yl)acetamide
CID 41340494
N-(2-methyl-1,3-dioxoisoindol-5-yl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
CID 17321943

Frequently Asked Questions

What is the IUPAC name of 2-(5-chlorothiophen-2-yl)-N-(2-methyl-1,3-dioxoisoindol-5-yl)acetamide?
The IUPAC name of 2-(5-chlorothiophen-2-yl)-N-(2-methyl-1,3-dioxoisoindol-5-yl)acetamide (CID 41340458) is 2-(5-chlorothiophen-2-yl)-N-(2-methyl-1,3-dioxoisoindol-5-yl)acetamide.
What is the SMILES notation for 2-(5-chlorothiophen-2-yl)-N-(2-methyl-1,3-dioxoisoindol-5-yl)acetamide?
The canonical SMILES for 2-(5-chlorothiophen-2-yl)-N-(2-methyl-1,3-dioxoisoindol-5-yl)acetamide is CN1C(=O)c2ccc(NC(=O)Cc3ccc(Cl)s3)cc2C1=O.
What is the InChIKey of 2-(5-chlorothiophen-2-yl)-N-(2-methyl-1,3-dioxoisoindol-5-yl)acetamide?
The InChIKey is AQZQVSWBKFPISM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN2O3S/c1-18-14(20)10-4-2-8(6-11(10)15(18)21)17-13(19)7-9-3-5-12(16)22-9/h2-6H,7H2,1H3,(H,17,19).
What are the key properties of 2-(5-chlorothiophen-2-yl)-N-(2-methyl-1,3-dioxoisoindol-5-yl)acetamide?
2-(5-chlorothiophen-2-yl)-N-(2-methyl-1,3-dioxoisoindol-5-yl)acetamide has a molecular weight of 334.78 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chlorothiophen-2-yl)-N-(2-methyl-1,3-dioxoisoindol-5-yl)acetamide is sourced from PubChem (CID 41340458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).