N-[(2-methyl-1H-indol-5-yl)methyl]-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide

C20H19N3O4S — CID 110425565

IUPACN-[(2-methyl-1H-indol-5-yl)methyl]-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
SMILESCc1cc2cc(CNC(=O)c3ccc(N4C(=O)CCS4(=O)=O)cc3)ccc2[nH]1
InChIInChI=1S/C20H19N3O4S/c1-13-10-16-11-14(2-7-18(16)22-13)12-21-20(25)15-3-5-17(6-4-15)23-19(24)8-9-28(23,26)27/h2-7,10-11,22H,8-9,12H2,1H3,(H,21,25)
InChIKeyOUHAAIRKWSOGST-UHFFFAOYSA-N
MW397.46 g/mol
LogP2.47
Rot. Bonds4

About N-[(2-methyl-1H-indol-5-yl)methyl]-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide

N-[(2-methyl-1H-indol-5-yl)methyl]-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide (PubChem CID 110425565) has the molecular formula C20H19N3O4S and a molecular weight of 397.46 g/mol. Its IUPAC name is N-[(2-methyl-1H-indol-5-yl)methyl]-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide.

Molecular Properties

Compound NameN-[(2-methyl-1H-indol-5-yl)methyl]-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
PubChem CID110425565
Molecular FormulaC20H19N3O4S
Molecular Weight397.46 g/mol
Exact Mass397.11
IUPAC NameN-[(2-methyl-1H-indol-5-yl)methyl]-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
SMILESCc1cc2cc(CNC(=O)c3ccc(N4C(=O)CCS4(=O)=O)cc3)ccc2[nH]1
InChIInChI=1S/C20H19N3O4S/c1-13-10-16-11-14(2-7-18(16)22-13)12-21-20(25)15-3-5-17(6-4-15)23-19(24)8-9-28(23,26)27/h2-7,10-11,22H,8-9,12H2,1H3,(H,21,25)
InChIKeyOUHAAIRKWSOGST-UHFFFAOYSA-N
XLogP2.47
TPSA99.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.46
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(2-methyl-1H-indol-5-yl)methyl]-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide with MolForge

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Related Compounds

N-[(2-methyl-1H-indol-5-yl)methyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 110425550
4-fluoro-N-[(2-methyl-1H-indol-5-yl)methyl]benzamide
CID 5096418
N-[(2-methyl-1H-indol-5-yl)methyl]-2-oxo-1H-pyridine-4-carboxamide
CID 138042465
N-benzyl-2-methyl-1H-indole-5-carboxamide
CID 110695037
N-[2-(dimethylamino)ethyl]-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
CID 21006820
N-(2,2-dimethoxyethyl)-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
CID 21006832
3-chloro-N-[(2-methyl-1H-indol-5-yl)methyl]benzamide
CID 5096420
N-(2-methyl-3-phenylpropyl)-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
CID 110616599
N-[[1-(hydroxymethyl)cyclohexyl]methyl]-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
CID 110310142
N-[2-[2-(diethylamino)ethoxy]ethyl]-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
CID 110618492
4-(dimethylamino)-N-[(3-methyl-2-oxo-1H-quinolin-6-yl)methyl]benzamide
CID 110666046
N-methyl-2-[[4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzoyl]amino]benzamide
CID 110407862

Frequently Asked Questions

What is the IUPAC name of N-[(2-methyl-1H-indol-5-yl)methyl]-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide?
The IUPAC name of N-[(2-methyl-1H-indol-5-yl)methyl]-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide (CID 110425565) is N-[(2-methyl-1H-indol-5-yl)methyl]-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide.
What is the SMILES notation for N-[(2-methyl-1H-indol-5-yl)methyl]-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide?
The canonical SMILES for N-[(2-methyl-1H-indol-5-yl)methyl]-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide is Cc1cc2cc(CNC(=O)c3ccc(N4C(=O)CCS4(=O)=O)cc3)ccc2[nH]1.
What is the InChIKey of N-[(2-methyl-1H-indol-5-yl)methyl]-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide?
The InChIKey is OUHAAIRKWSOGST-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O4S/c1-13-10-16-11-14(2-7-18(16)22-13)12-21-20(25)15-3-5-17(6-4-15)23-19(24)8-9-28(23,26)27/h2-7,10-11,22H,8-9,12H2,1H3,(H,21,25).
What are the key properties of N-[(2-methyl-1H-indol-5-yl)methyl]-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide?
N-[(2-methyl-1H-indol-5-yl)methyl]-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide has a molecular weight of 397.46 g/mol, XLogP of 2.47, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methyl-1H-indol-5-yl)methyl]-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide is sourced from PubChem (CID 110425565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).