N-(1-acetyl-2,3-dihydroindol-5-yl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide

C20H21N3O4S — CID 18132632

IUPACN-(1-acetyl-2,3-dihydroindol-5-yl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
SMILESCC(=O)N1CCc2cc(NC(=O)c3ccc(N4CCCS4(=O)=O)cc3)ccc21
InChIInChI=1S/C20H21N3O4S/c1-14(24)22-11-9-16-13-17(5-8-19(16)22)21-20(25)15-3-6-18(7-4-15)23-10-2-12-28(23,26)27/h3-8,13H,2,9-12H2,1H3,(H,21,25)
InChIKeyUMDFQLLSJAGODG-UHFFFAOYSA-N
MW399.47 g/mol
LogP2.39
Rot. Bonds3

About N-(1-acetyl-2,3-dihydroindol-5-yl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide

N-(1-acetyl-2,3-dihydroindol-5-yl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide (PubChem CID 18132632) has the molecular formula C20H21N3O4S and a molecular weight of 399.47 g/mol. Its IUPAC name is N-(1-acetyl-2,3-dihydroindol-5-yl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide.

Molecular Properties

Compound NameN-(1-acetyl-2,3-dihydroindol-5-yl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
PubChem CID18132632
Molecular FormulaC20H21N3O4S
Molecular Weight399.47 g/mol
Exact Mass399.13
IUPAC NameN-(1-acetyl-2,3-dihydroindol-5-yl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
SMILESCC(=O)N1CCc2cc(NC(=O)c3ccc(N4CCCS4(=O)=O)cc3)ccc21
InChIInChI=1S/C20H21N3O4S/c1-14(24)22-11-9-16-13-17(5-8-19(16)22)21-20(25)15-3-6-18(7-4-15)23-10-2-12-28(23,26)27/h3-8,13H,2,9-12H2,1H3,(H,21,25)
InChIKeyUMDFQLLSJAGODG-UHFFFAOYSA-N
XLogP2.39
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.47
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-4-methylbenzamide
CID 7627515
4-benzamido-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]benzamide
CID 55535899
N-(1-acetyl-2,3-dihydroindol-5-yl)-4-(methylsulfamoyl)benzamide
CID 51219427
N-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-4-(hydroxymethyl)benzamide
CID 155952648
N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-4-piperidin-1-ylbenzamide
CID 46979712
N-(3-chloro-4-fluorophenyl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
CID 51246208
N-(1-acetyl-2,3-dihydroindol-5-yl)-4-butoxybenzamide
CID 42423988
N-(3,4-difluorophenyl)-4-(1,1-dioxothiazinan-2-yl)benzamide
CID 7685666
N-(3,4-dimethoxyphenyl)-4-(1,1-dioxothiazinan-2-yl)benzamide
CID 7685697
N-(1-acetyl-2,3-dihydroindol-5-yl)-4-prop-2-enoxybenzamide
CID 39628262
N-(1,2-benzoxazol-6-yl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
CID 90130033
N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
CID 55433819

Frequently Asked Questions

What is the IUPAC name of N-(1-acetyl-2,3-dihydroindol-5-yl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide?
The IUPAC name of N-(1-acetyl-2,3-dihydroindol-5-yl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide (CID 18132632) is N-(1-acetyl-2,3-dihydroindol-5-yl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide.
What is the SMILES notation for N-(1-acetyl-2,3-dihydroindol-5-yl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide?
The canonical SMILES for N-(1-acetyl-2,3-dihydroindol-5-yl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide is CC(=O)N1CCc2cc(NC(=O)c3ccc(N4CCCS4(=O)=O)cc3)ccc21.
What is the InChIKey of N-(1-acetyl-2,3-dihydroindol-5-yl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide?
The InChIKey is UMDFQLLSJAGODG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O4S/c1-14(24)22-11-9-16-13-17(5-8-19(16)22)21-20(25)15-3-6-18(7-4-15)23-10-2-12-28(23,26)27/h3-8,13H,2,9-12H2,1H3,(H,21,25).
What are the key properties of N-(1-acetyl-2,3-dihydroindol-5-yl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide?
N-(1-acetyl-2,3-dihydroindol-5-yl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide has a molecular weight of 399.47 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-acetyl-2,3-dihydroindol-5-yl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide is sourced from PubChem (CID 18132632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).