N-[3-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]thiophene-2-carboxamide

C19H11ClN2O3S — CID 55726220

IUPACN-[3-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]thiophene-2-carboxamide
SMILESO=C(Nc1ccc(N2C(=O)c3ccccc3C2=O)c(Cl)c1)c1cccs1
InChIInChI=1S/C19H11ClN2O3S/c20-14-10-11(21-17(23)16-6-3-9-26-16)7-8-15(14)22-18(24)12-4-1-2-5-13(12)19(22)25/h1-10H,(H,21,23)
InChIKeyNGNZROYSFUNCAK-UHFFFAOYSA-N
MW382.83 g/mol
LogP4.45
Rot. Bonds3

About N-[3-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]thiophene-2-carboxamide

N-[3-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]thiophene-2-carboxamide (PubChem CID 55726220) has the molecular formula C19H11ClN2O3S and a molecular weight of 382.83 g/mol. Its IUPAC name is N-[3-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]thiophene-2-carboxamide
PubChem CID55726220
Molecular FormulaC19H11ClN2O3S
Molecular Weight382.83 g/mol
Exact Mass382.02
IUPAC NameN-[3-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]thiophene-2-carboxamide
SMILESO=C(Nc1ccc(N2C(=O)c3ccccc3C2=O)c(Cl)c1)c1cccs1
InChIInChI=1S/C19H11ClN2O3S/c20-14-10-11(21-17(23)16-6-3-9-26-16)7-8-15(14)22-18(24)12-4-1-2-5-13(12)19(22)25/h1-10H,(H,21,23)
InChIKeyNGNZROYSFUNCAK-UHFFFAOYSA-N
XLogP4.45
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.83
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[3-chloro-4-(1,3-dioxoisoindol-2-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

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[3-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]thiophene-2-carboxamide (CID 55726220) is N-[3-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[3-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[3-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]thiophene-2-carboxamide is O=C(Nc1ccc(N2C(=O)c3ccccc3C2=O)c(Cl)c1)c1cccs1.
What is the InChIKey of N-[3-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]thiophene-2-carboxamide?
The InChIKey is NGNZROYSFUNCAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11ClN2O3S/c20-14-10-11(21-17(23)16-6-3-9-26-16)7-8-15(14)22-18(24)12-4-1-2-5-13(12)19(22)25/h1-10H,(H,21,23).
What are the key properties of N-[3-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]thiophene-2-carboxamide?
N-[3-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]thiophene-2-carboxamide has a molecular weight of 382.83 g/mol, XLogP of 4.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 55726220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).