N-[2-chloro-4-(2,5-dioxopyrrolidin-1-yl)phenyl]thiophene-2-carboxamide

C15H11ClN2O3S — CID 1136439

IUPACN-[2-chloro-4-(2,5-dioxopyrrolidin-1-yl)phenyl]thiophene-2-carboxamide
SMILESO=C(Nc1ccc(N2C(=O)CCC2=O)cc1Cl)c1cccs1
InChIInChI=1S/C15H11ClN2O3S/c16-10-8-9(18-13(19)5-6-14(18)20)3-4-11(10)17-15(21)12-2-1-7-22-12/h1-4,7-8H,5-6H2,(H,17,21)
InChIKeyJXGXJJDNEIBMMM-UHFFFAOYSA-N
MW334.78 g/mol
LogP3.31
Rot. Bonds3

About N-[2-chloro-4-(2,5-dioxopyrrolidin-1-yl)phenyl]thiophene-2-carboxamide

N-[2-chloro-4-(2,5-dioxopyrrolidin-1-yl)phenyl]thiophene-2-carboxamide (PubChem CID 1136439) has the molecular formula C15H11ClN2O3S and a molecular weight of 334.78 g/mol. Its IUPAC name is N-[2-chloro-4-(2,5-dioxopyrrolidin-1-yl)phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-chloro-4-(2,5-dioxopyrrolidin-1-yl)phenyl]thiophene-2-carboxamide
PubChem CID1136439
Molecular FormulaC15H11ClN2O3S
Molecular Weight334.78 g/mol
Exact Mass334.02
IUPAC NameN-[2-chloro-4-(2,5-dioxopyrrolidin-1-yl)phenyl]thiophene-2-carboxamide
SMILESO=C(Nc1ccc(N2C(=O)CCC2=O)cc1Cl)c1cccs1
InChIInChI=1S/C15H11ClN2O3S/c16-10-8-9(18-13(19)5-6-14(18)20)3-4-11(10)17-15(21)12-2-1-7-22-12/h1-4,7-8H,5-6H2,(H,17,21)
InChIKeyJXGXJJDNEIBMMM-UHFFFAOYSA-N
XLogP3.31
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 ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-4-(2,5-dioxopyrrolidin-1-yl)phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-chloro-4-(2,5-dioxopyrrolidin-1-yl)phenyl]thiophene-2-carboxamide (CID 1136439) is N-[2-chloro-4-(2,5-dioxopyrrolidin-1-yl)phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-chloro-4-(2,5-dioxopyrrolidin-1-yl)phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-chloro-4-(2,5-dioxopyrrolidin-1-yl)phenyl]thiophene-2-carboxamide is O=C(Nc1ccc(N2C(=O)CCC2=O)cc1Cl)c1cccs1.
What is the InChIKey of N-[2-chloro-4-(2,5-dioxopyrrolidin-1-yl)phenyl]thiophene-2-carboxamide?
The InChIKey is JXGXJJDNEIBMMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN2O3S/c16-10-8-9(18-13(19)5-6-14(18)20)3-4-11(10)17-15(21)12-2-1-7-22-12/h1-4,7-8H,5-6H2,(H,17,21).
What are the key properties of N-[2-chloro-4-(2,5-dioxopyrrolidin-1-yl)phenyl]thiophene-2-carboxamide?
N-[2-chloro-4-(2,5-dioxopyrrolidin-1-yl)phenyl]thiophene-2-carboxamide has a molecular weight of 334.78 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-4-(2,5-dioxopyrrolidin-1-yl)phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 1136439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).