5-chloro-N-[3-hydroxy-2-[[3-(2-imino-1,3-oxazolidin-3-yl)phenyl]methyl]isoindol-4-yl]thiophene-2-carboxamide

C23H19ClN4O3S — CID 91472970

IUPAC5-chloro-N-[3-hydroxy-2-[[3-(2-imino-1,3-oxazolidin-3-yl)phenyl]methyl]isoindol-4-yl]thiophene-2-carboxamide
SMILES[H]/N=C1\OCCN1c1cccc(Cn2cc3cccc(NC(=O)c4ccc(Cl)s4)c3c2O)c1
InChIInChI=1S/C23H19ClN4O3S/c24-19-8-7-18(32-19)21(29)26-17-6-2-4-15-13-27(22(30)20(15)17)12-14-3-1-5-16(11-14)28-9-10-31-23(28)25/h1-8,11,13,25,30H,9-10,12H2,(H,26,29)/b25-23-
InChIKeyGWOHNWKORMICFB-BZZOAKBMSA-N
MW466.95 g/mol
LogP5.13
Rot. Bonds5

About 5-chloro-N-[3-hydroxy-2-[[3-(2-imino-1,3-oxazolidin-3-yl)phenyl]methyl]isoindol-4-yl]thiophene-2-carboxamide

5-chloro-N-[3-hydroxy-2-[[3-(2-imino-1,3-oxazolidin-3-yl)phenyl]methyl]isoindol-4-yl]thiophene-2-carboxamide (PubChem CID 91472970) has the molecular formula C23H19ClN4O3S and a molecular weight of 466.95 g/mol. Its IUPAC name is 5-chloro-N-[3-hydroxy-2-[[3-(2-imino-1,3-oxazolidin-3-yl)phenyl]methyl]isoindol-4-yl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[3-hydroxy-2-[[3-(2-imino-1,3-oxazolidin-3-yl)phenyl]methyl]isoindol-4-yl]thiophene-2-carboxamide
PubChem CID91472970
Molecular FormulaC23H19ClN4O3S
Molecular Weight466.95 g/mol
Exact Mass466.09
IUPAC Name5-chloro-N-[3-hydroxy-2-[[3-(2-imino-1,3-oxazolidin-3-yl)phenyl]methyl]isoindol-4-yl]thiophene-2-carboxamide
SMILES[H]/N=C1\OCCN1c1cccc(Cn2cc3cccc(NC(=O)c4ccc(Cl)s4)c3c2O)c1
InChIInChI=1S/C23H19ClN4O3S/c24-19-8-7-18(32-19)21(29)26-17-6-2-4-15-13-27(22(30)20(15)17)12-14-3-1-5-16(11-14)28-9-10-31-23(28)25/h1-8,11,13,25,30H,9-10,12H2,(H,26,29)/b25-23-
InChIKeyGWOHNWKORMICFB-BZZOAKBMSA-N
XLogP5.13
TPSA90.58 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.95
LogP ≤ 55.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[3-hydroxy-2-[[3-(2-imino-1,3-oxazolidin-3-yl)phenyl]methyl]isoindol-4-yl]thiophene-2-carboxamide?
The IUPAC name of 5-chloro-N-[3-hydroxy-2-[[3-(2-imino-1,3-oxazolidin-3-yl)phenyl]methyl]isoindol-4-yl]thiophene-2-carboxamide (CID 91472970) is 5-chloro-N-[3-hydroxy-2-[[3-(2-imino-1,3-oxazolidin-3-yl)phenyl]methyl]isoindol-4-yl]thiophene-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[3-hydroxy-2-[[3-(2-imino-1,3-oxazolidin-3-yl)phenyl]methyl]isoindol-4-yl]thiophene-2-carboxamide?
The canonical SMILES for 5-chloro-N-[3-hydroxy-2-[[3-(2-imino-1,3-oxazolidin-3-yl)phenyl]methyl]isoindol-4-yl]thiophene-2-carboxamide is [H]/N=C1\OCCN1c1cccc(Cn2cc3cccc(NC(=O)c4ccc(Cl)s4)c3c2O)c1.
What is the InChIKey of 5-chloro-N-[3-hydroxy-2-[[3-(2-imino-1,3-oxazolidin-3-yl)phenyl]methyl]isoindol-4-yl]thiophene-2-carboxamide?
The InChIKey is GWOHNWKORMICFB-BZZOAKBMSA-N. The full InChI is InChI=1S/C23H19ClN4O3S/c24-19-8-7-18(32-19)21(29)26-17-6-2-4-15-13-27(22(30)20(15)17)12-14-3-1-5-16(11-14)28-9-10-31-23(28)25/h1-8,11,13,25,30H,9-10,12H2,(H,26,29)/b25-23-.
What are the key properties of 5-chloro-N-[3-hydroxy-2-[[3-(2-imino-1,3-oxazolidin-3-yl)phenyl]methyl]isoindol-4-yl]thiophene-2-carboxamide?
5-chloro-N-[3-hydroxy-2-[[3-(2-imino-1,3-oxazolidin-3-yl)phenyl]methyl]isoindol-4-yl]thiophene-2-carboxamide has a molecular weight of 466.95 g/mol, XLogP of 5.13, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[3-hydroxy-2-[[3-(2-imino-1,3-oxazolidin-3-yl)phenyl]methyl]isoindol-4-yl]thiophene-2-carboxamide is sourced from PubChem (CID 91472970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).