N-[4-hydroxy-5-(2-oxoindol-3-yl)-2-sulfanylidene-1,3-thiazol-3-yl]-2-[4-(2-methylpropyl)phenyl]propanamide

C24H23N3O3S2 — CID 135824938

IUPACN-[4-hydroxy-5-(2-oxoindol-3-yl)-2-sulfanylidene-1,3-thiazol-3-yl]-2-[4-(2-methylpropyl)phenyl]propanamide
SMILESCC(C)Cc1ccc(C(C)C(=O)Nn2c(O)c(C3=c4ccccc4=NC3=O)sc2=S)cc1
InChIInChI=1S/C24H23N3O3S2/c1-13(2)12-15-8-10-16(11-9-15)14(3)21(28)26-27-23(30)20(32-24(27)31)19-17-6-4-5-7-18(17)25-22(19)29/h4-11,13-14,30H,12H2,1-3H3,(H,26,28)
InChIKeyFOIFTZFJQYEDNN-UHFFFAOYSA-N
MW465.60 g/mol
LogP3.42
Rot. Bonds6

About N-[4-hydroxy-5-(2-oxoindol-3-yl)-2-sulfanylidene-1,3-thiazol-3-yl]-2-[4-(2-methylpropyl)phenyl]propanamide

N-[4-hydroxy-5-(2-oxoindol-3-yl)-2-sulfanylidene-1,3-thiazol-3-yl]-2-[4-(2-methylpropyl)phenyl]propanamide (PubChem CID 135824938) has the molecular formula C24H23N3O3S2 and a molecular weight of 465.60 g/mol. Its IUPAC name is N-[4-hydroxy-5-(2-oxoindol-3-yl)-2-sulfanylidene-1,3-thiazol-3-yl]-2-[4-(2-methylpropyl)phenyl]propanamide.

Molecular Properties

Compound NameN-[4-hydroxy-5-(2-oxoindol-3-yl)-2-sulfanylidene-1,3-thiazol-3-yl]-2-[4-(2-methylpropyl)phenyl]propanamide
PubChem CID135824938
Molecular FormulaC24H23N3O3S2
Molecular Weight465.60 g/mol
Exact Mass465.12
IUPAC NameN-[4-hydroxy-5-(2-oxoindol-3-yl)-2-sulfanylidene-1,3-thiazol-3-yl]-2-[4-(2-methylpropyl)phenyl]propanamide
SMILESCC(C)Cc1ccc(C(C)C(=O)Nn2c(O)c(C3=c4ccccc4=NC3=O)sc2=S)cc1
InChIInChI=1S/C24H23N3O3S2/c1-13(2)12-15-8-10-16(11-9-15)14(3)21(28)26-27-23(30)20(32-24(27)31)19-17-6-4-5-7-18(17)25-22(19)29/h4-11,13-14,30H,12H2,1-3H3,(H,26,28)
InChIKeyFOIFTZFJQYEDNN-UHFFFAOYSA-N
XLogP3.42
TPSA83.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.60
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[4-hydroxy-5-(2-oxoindol-3-yl)-2-sulfanylidene-1,3-thiazol-3-yl]-2-[4-(2-methylpropyl)phenyl]propanamide?
The IUPAC name of N-[4-hydroxy-5-(2-oxoindol-3-yl)-2-sulfanylidene-1,3-thiazol-3-yl]-2-[4-(2-methylpropyl)phenyl]propanamide (CID 135824938) is N-[4-hydroxy-5-(2-oxoindol-3-yl)-2-sulfanylidene-1,3-thiazol-3-yl]-2-[4-(2-methylpropyl)phenyl]propanamide.
What is the SMILES notation for N-[4-hydroxy-5-(2-oxoindol-3-yl)-2-sulfanylidene-1,3-thiazol-3-yl]-2-[4-(2-methylpropyl)phenyl]propanamide?
The canonical SMILES for N-[4-hydroxy-5-(2-oxoindol-3-yl)-2-sulfanylidene-1,3-thiazol-3-yl]-2-[4-(2-methylpropyl)phenyl]propanamide is CC(C)Cc1ccc(C(C)C(=O)Nn2c(O)c(C3=c4ccccc4=NC3=O)sc2=S)cc1.
What is the InChIKey of N-[4-hydroxy-5-(2-oxoindol-3-yl)-2-sulfanylidene-1,3-thiazol-3-yl]-2-[4-(2-methylpropyl)phenyl]propanamide?
The InChIKey is FOIFTZFJQYEDNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O3S2/c1-13(2)12-15-8-10-16(11-9-15)14(3)21(28)26-27-23(30)20(32-24(27)31)19-17-6-4-5-7-18(17)25-22(19)29/h4-11,13-14,30H,12H2,1-3H3,(H,26,28).
What are the key properties of N-[4-hydroxy-5-(2-oxoindol-3-yl)-2-sulfanylidene-1,3-thiazol-3-yl]-2-[4-(2-methylpropyl)phenyl]propanamide?
N-[4-hydroxy-5-(2-oxoindol-3-yl)-2-sulfanylidene-1,3-thiazol-3-yl]-2-[4-(2-methylpropyl)phenyl]propanamide has a molecular weight of 465.60 g/mol, XLogP of 3.42, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-hydroxy-5-(2-oxoindol-3-yl)-2-sulfanylidene-1,3-thiazol-3-yl]-2-[4-(2-methylpropyl)phenyl]propanamide is sourced from PubChem (CID 135824938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).