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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Thiophene-2-carboxylic acid (4-chloro-phenyl)-amide
CID 728651
N-(3-chlorophenyl)thiophene-2-carboxamide
CID 531925
N-(2-chlorophenyl)thiophene-2-carboxamide
CID 652985
N-(3-chloro-4-pyrrolidin-1-ylphenyl)thiophene-2-carboxamide
CID 806954
N'-[1-(3-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]thiophene-2-carbohydrazide
CID 3703002
N-(4-amino-2-chlorophenyl)thiophene-2-carboxamide
CID 649944
N-(5-amino-2-chlorophenyl)thiophene-2-carboxamide
CID 655790
N-[4-(4-butanoylpiperazin-1-yl)-3-chlorophenyl]thiophene-2-carboxamide
CID 2194976
N-{2-chloro-4-[(phenylacetyl)amino]phenyl}-2-thiophenecarboxamide
CID 2226693
N-[2-chloro-4-(1,3-dioxooctahydro-2H-isoindol-2-yl)phenyl]-2-thiophenecarboxamide
CID 2906920
N-[3-chloro-4-[(2-phenylacetyl)amino]phenyl]thiophene-2-carboxamide
CID 3132084
N-[3-chloro-4-(thiophene-2-carbonylamino)phenyl]thiophene-2-carboxamide
CID 3111171

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).