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

C14H9ClN2O3S — CID 31508122

IUPAC5-chloro-N-(2-methyl-1,3-dioxoisoindol-5-yl)thiophene-2-carboxamide
SMILESCN1C(=O)c2ccc(NC(=O)c3ccc(Cl)s3)cc2C1=O
InChIInChI=1S/C14H9ClN2O3S/c1-17-13(19)8-3-2-7(6-9(8)14(17)20)16-12(18)10-4-5-11(15)21-10/h2-6H,1H3,(H,16,18)
InChIKeyPJOCFPZYMAWHCZ-UHFFFAOYSA-N
MW320.76 g/mol
LogP2.88
Rot. Bonds2

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

5-chloro-N-(2-methyl-1,3-dioxoisoindol-5-yl)thiophene-2-carboxamide (PubChem CID 31508122) has the molecular formula C14H9ClN2O3S and a molecular weight of 320.76 g/mol. Its IUPAC name is 5-chloro-N-(2-methyl-1,3-dioxoisoindol-5-yl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(2-methyl-1,3-dioxoisoindol-5-yl)thiophene-2-carboxamide
PubChem CID31508122
Molecular FormulaC14H9ClN2O3S
Molecular Weight320.76 g/mol
Exact Mass320.00
IUPAC Name5-chloro-N-(2-methyl-1,3-dioxoisoindol-5-yl)thiophene-2-carboxamide
SMILESCN1C(=O)c2ccc(NC(=O)c3ccc(Cl)s3)cc2C1=O
InChIInChI=1S/C14H9ClN2O3S/c1-17-13(19)8-3-2-7(6-9(8)14(17)20)16-12(18)10-4-5-11(15)21-10/h2-6H,1H3,(H,16,18)
InChIKeyPJOCFPZYMAWHCZ-UHFFFAOYSA-N
XLogP2.88
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.76
LogP ≤ 52.88
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

2-(5-chlorothiophen-2-yl)-N-(2-methyl-1,3-dioxoisoindol-5-yl)acetamide
CID 41340458
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CID 3479258
N-(2-methyl-1,3-dioxoisoindol-5-yl)-4-sulfanylthiophene-2-carboxamide
CID 107020171
3,4-dichloro-N-(2-methyl-1,3-dioxoisoindol-5-yl)benzamide
CID 5303031
3-chloro-N-(2-methyl-1,3-dioxoisoindol-5-yl)-1-benzothiophene-2-carboxamide
CID 1322308
4-fluoro-N-(2-methyl-1,3-dioxoisoindol-5-yl)-1-benzothiophene-2-carboxamide
CID 31508762
2-[(2-methyl-1,3-dioxoisoindol-5-yl)carbamoyl]benzoic acid
CID 4174312
N-(2-methyl-1,3-dioxoisoindol-5-yl)-1H-pyrrole-2-carboxamide
CID 110461124
2-(diethylamino)-N-(2-methyl-1,3-dioxoisoindol-5-yl)thieno[2,3-d][1,3]thiazole-5-carboxamide
CID 52689236
5-(4-chlorophenyl)-N-(2-methyl-1,3-dioxoisoindol-5-yl)furan-2-carboxamide
CID 1227268
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
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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2-methyl-1,3-dioxoisoindol-5-yl)thiophene-2-carboxamide?
The IUPAC name of 5-chloro-N-(2-methyl-1,3-dioxoisoindol-5-yl)thiophene-2-carboxamide (CID 31508122) is 5-chloro-N-(2-methyl-1,3-dioxoisoindol-5-yl)thiophene-2-carboxamide.
What is the SMILES notation for 5-chloro-N-(2-methyl-1,3-dioxoisoindol-5-yl)thiophene-2-carboxamide?
The canonical SMILES for 5-chloro-N-(2-methyl-1,3-dioxoisoindol-5-yl)thiophene-2-carboxamide is CN1C(=O)c2ccc(NC(=O)c3ccc(Cl)s3)cc2C1=O.
What is the InChIKey of 5-chloro-N-(2-methyl-1,3-dioxoisoindol-5-yl)thiophene-2-carboxamide?
The InChIKey is PJOCFPZYMAWHCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClN2O3S/c1-17-13(19)8-3-2-7(6-9(8)14(17)20)16-12(18)10-4-5-11(15)21-10/h2-6H,1H3,(H,16,18).
What are the key properties of 5-chloro-N-(2-methyl-1,3-dioxoisoindol-5-yl)thiophene-2-carboxamide?
5-chloro-N-(2-methyl-1,3-dioxoisoindol-5-yl)thiophene-2-carboxamide has a molecular weight of 320.76 g/mol, XLogP of 2.88, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2-methyl-1,3-dioxoisoindol-5-yl)thiophene-2-carboxamide is sourced from PubChem (CID 31508122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).