N-(3-aminopropyl)-N-benzyl-3-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]benzamide

C21H23N3O3S — CID 120649648

IUPACN-(3-aminopropyl)-N-benzyl-3-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]benzamide
SMILESNCCCN(Cc1ccccc1)C(=O)c1cccc(CN2C(=O)CSC2=O)c1
InChIInChI=1S/C21H23N3O3S/c22-10-5-11-23(13-16-6-2-1-3-7-16)20(26)18-9-4-8-17(12-18)14-24-19(25)15-28-21(24)27/h1-4,6-9,12H,5,10-11,13-15,22H2
InChIKeyRKXMCEJCWCYYEE-UHFFFAOYSA-N
MW397.50 g/mol
LogP2.87
Rot. Bonds8

About N-(3-aminopropyl)-N-benzyl-3-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]benzamide

N-(3-aminopropyl)-N-benzyl-3-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]benzamide (PubChem CID 120649648) has the molecular formula C21H23N3O3S and a molecular weight of 397.50 g/mol. Its IUPAC name is N-(3-aminopropyl)-N-benzyl-3-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]benzamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-N-benzyl-3-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]benzamide
PubChem CID120649648
Molecular FormulaC21H23N3O3S
Molecular Weight397.50 g/mol
Exact Mass397.15
IUPAC NameN-(3-aminopropyl)-N-benzyl-3-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]benzamide
SMILESNCCCN(Cc1ccccc1)C(=O)c1cccc(CN2C(=O)CSC2=O)c1
InChIInChI=1S/C21H23N3O3S/c22-10-5-11-23(13-16-6-2-1-3-7-16)20(26)18-9-4-8-17(12-18)14-24-19(25)15-28-21(24)27/h1-4,6-9,12H,5,10-11,13-15,22H2
InChIKeyRKXMCEJCWCYYEE-UHFFFAOYSA-N
XLogP2.87
TPSA83.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.50
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-(3-aminopropyl)-N-benzyl-3-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]benzamide 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

N-(3-aminopropyl)-N-benzyl-3-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]benzamide;hydrochloride
CID 120649647
N-(2-aminoethyl)-3-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]-N-(2-phenylethyl)benzamide;hydrochloride
CID 120884917
N-(3-aminopropyl)-N-benzyl-3-iodobenzamide
CID 107365856
N-(3-aminopropyl)-N-benzyl-3-bromobenzamide
CID 107365609
3-N-(3-aminopropyl)-3-N-benzyl-1-N-methylbenzene-1,3-dicarboxamide
CID 120648912
N-(3-aminopropyl)-N-benzyl-2,3-dihydro-1H-indene-5-carboxamide
CID 120648770
N-(3-aminopropyl)-N-benzyl-3-(difluoromethoxy)benzamide;hydrochloride
CID 120649019
N-(3-aminopropyl)-N-benzyl-4-methylbenzamide
CID 107365954
N-(3-aminopropyl)-N-benzyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide;hydrochloride
CID 120648747
N-[3-(aminomethyl)pentan-3-yl]-3-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]benzamide
CID 119570514
3-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]-N-(1-phenylcyclobutyl)benzamide
CID 52558209
3-[[3-(2,3-dihydro-1,4-benzothiazine-4-carbonyl)phenyl]methyl]-1,3-thiazolidine-2,4-dione
CID 55542816

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-N-benzyl-3-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]benzamide?
The IUPAC name of N-(3-aminopropyl)-N-benzyl-3-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]benzamide (CID 120649648) is N-(3-aminopropyl)-N-benzyl-3-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]benzamide.
What is the SMILES notation for N-(3-aminopropyl)-N-benzyl-3-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]benzamide?
The canonical SMILES for N-(3-aminopropyl)-N-benzyl-3-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]benzamide is NCCCN(Cc1ccccc1)C(=O)c1cccc(CN2C(=O)CSC2=O)c1.
What is the InChIKey of N-(3-aminopropyl)-N-benzyl-3-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]benzamide?
The InChIKey is RKXMCEJCWCYYEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3S/c22-10-5-11-23(13-16-6-2-1-3-7-16)20(26)18-9-4-8-17(12-18)14-24-19(25)15-28-21(24)27/h1-4,6-9,12H,5,10-11,13-15,22H2.
What are the key properties of N-(3-aminopropyl)-N-benzyl-3-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]benzamide?
N-(3-aminopropyl)-N-benzyl-3-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]benzamide has a molecular weight of 397.50 g/mol, XLogP of 2.87, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-N-benzyl-3-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]benzamide is sourced from PubChem (CID 120649648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).