5-chloro-N-[3-hydroxy-2-[(4-iodophenyl)methyl]-1-oxo-3H-isoindol-4-yl]thiophene-2-carboxamide

C20H14ClIN2O3S — CID 24810977

IUPAC5-chloro-N-[3-hydroxy-2-[(4-iodophenyl)methyl]-1-oxo-3H-isoindol-4-yl]thiophene-2-carboxamide
SMILESO=C(Nc1cccc2c1C(O)N(Cc1ccc(I)cc1)C2=O)c1ccc(Cl)s1
InChIInChI=1S/C20H14ClIN2O3S/c21-16-9-8-15(28-16)18(25)23-14-3-1-2-13-17(14)20(27)24(19(13)26)10-11-4-6-12(22)7-5-11/h1-9,20,27H,10H2,(H,23,25)
InChIKeyICMUWUCZYOPKLN-UHFFFAOYSA-N
MW524.77 g/mol
LogP4.91
Rot. Bonds4

About 5-chloro-N-[3-hydroxy-2-[(4-iodophenyl)methyl]-1-oxo-3H-isoindol-4-yl]thiophene-2-carboxamide

5-chloro-N-[3-hydroxy-2-[(4-iodophenyl)methyl]-1-oxo-3H-isoindol-4-yl]thiophene-2-carboxamide (PubChem CID 24810977) has the molecular formula C20H14ClIN2O3S and a molecular weight of 524.77 g/mol. Its IUPAC name is 5-chloro-N-[3-hydroxy-2-[(4-iodophenyl)methyl]-1-oxo-3H-isoindol-4-yl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[3-hydroxy-2-[(4-iodophenyl)methyl]-1-oxo-3H-isoindol-4-yl]thiophene-2-carboxamide
PubChem CID24810977
Molecular FormulaC20H14ClIN2O3S
Molecular Weight524.77 g/mol
Exact Mass523.95
IUPAC Name5-chloro-N-[3-hydroxy-2-[(4-iodophenyl)methyl]-1-oxo-3H-isoindol-4-yl]thiophene-2-carboxamide
SMILESO=C(Nc1cccc2c1C(O)N(Cc1ccc(I)cc1)C2=O)c1ccc(Cl)s1
InChIInChI=1S/C20H14ClIN2O3S/c21-16-9-8-15(28-16)18(25)23-14-3-1-2-13-17(14)20(27)24(19(13)26)10-11-4-6-12(22)7-5-11/h1-9,20,27H,10H2,(H,23,25)
InChIKeyICMUWUCZYOPKLN-UHFFFAOYSA-N
XLogP4.91
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500524.77
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-chloro-N-[3-hydroxy-2-[(4-iodophenyl)methyl]-1-oxo-3H-isoindol-4-yl]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

5-chloro-N-[1-hydroxy-2-[(3-iodo-4-methoxyphenyl)methyl]-3-oxo-1H-isoindol-4-yl]thiophene-2-carboxamide
CID 24810981
5-chloro-N-[3-hydroxy-1-oxo-2-[4-(3-oxomorpholin-4-yl)phenyl]-3H-isoindol-4-yl]thiophene-2-carboxamide
CID 24811081
5-chloro-N-[2-[(4-methylphenyl)methyl]-1,3-dioxoisoindol-4-yl]thiophene-2-carboxamide
CID 143585294
5-chloro-N-[2-[[4-(cyanomethyl)phenyl]methyl]-1,3-dioxo-1,2-benzothiazol-7-yl]thiophene-2-carboxamide
CID 142205768
5-chloro-N-[2-[2-(4-cyanophenyl)ethyl]-1,3-dioxoisoindol-4-yl]thiophene-2-carboxamide
CID 22337016
5-chloro-N-[1-hydroxy-3-oxo-2-[[3-[(pyridin-2-ylamino)methyl]phenyl]methyl]-1H-isoindol-4-yl]thiophene-2-carboxamide
CID 20824141
5-chloro-N-[2-[(3-formylphenyl)methyl]-1-oxo-3H-isoindol-4-yl]thiophene-2-carboxamide
CID 22337089
5-chloro-N-[2-[2-(3-cyanophenyl)ethyl]-1,3-dioxoisoindol-4-yl]thiophene-2-carboxamide
CID 22337106
5-chloro-N-[1,3-dihydroxy-2-[(3-iodophenyl)methyl]isoindol-4-yl]thiophene-2-carboxamide
CID 91427146
tert-butyl-[6-[4-[(5-chlorothiophene-2-carbonyl)amino]-1,3-dioxoisoindol-2-yl]hexyl]carbamic acid
CID 68996149
5-chloro-N-(2-ethylphenyl)thiophene-2-carboxamide
CID 7750910
5-chloro-N-[1,3-dioxo-2-[[3-[(pyrrolidin-1-ylamino)methyl]phenyl]methyl]isoindol-4-yl]thiophene-2-carboxamide
CID 20824139

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[3-hydroxy-2-[(4-iodophenyl)methyl]-1-oxo-3H-isoindol-4-yl]thiophene-2-carboxamide?
The IUPAC name of 5-chloro-N-[3-hydroxy-2-[(4-iodophenyl)methyl]-1-oxo-3H-isoindol-4-yl]thiophene-2-carboxamide (CID 24810977) is 5-chloro-N-[3-hydroxy-2-[(4-iodophenyl)methyl]-1-oxo-3H-isoindol-4-yl]thiophene-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[3-hydroxy-2-[(4-iodophenyl)methyl]-1-oxo-3H-isoindol-4-yl]thiophene-2-carboxamide?
The canonical SMILES for 5-chloro-N-[3-hydroxy-2-[(4-iodophenyl)methyl]-1-oxo-3H-isoindol-4-yl]thiophene-2-carboxamide is O=C(Nc1cccc2c1C(O)N(Cc1ccc(I)cc1)C2=O)c1ccc(Cl)s1.
What is the InChIKey of 5-chloro-N-[3-hydroxy-2-[(4-iodophenyl)methyl]-1-oxo-3H-isoindol-4-yl]thiophene-2-carboxamide?
The InChIKey is ICMUWUCZYOPKLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClIN2O3S/c21-16-9-8-15(28-16)18(25)23-14-3-1-2-13-17(14)20(27)24(19(13)26)10-11-4-6-12(22)7-5-11/h1-9,20,27H,10H2,(H,23,25).
What are the key properties of 5-chloro-N-[3-hydroxy-2-[(4-iodophenyl)methyl]-1-oxo-3H-isoindol-4-yl]thiophene-2-carboxamide?
5-chloro-N-[3-hydroxy-2-[(4-iodophenyl)methyl]-1-oxo-3H-isoindol-4-yl]thiophene-2-carboxamide has a molecular weight of 524.77 g/mol, XLogP of 4.91, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[3-hydroxy-2-[(4-iodophenyl)methyl]-1-oxo-3H-isoindol-4-yl]thiophene-2-carboxamide is sourced from PubChem (CID 24810977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).