3-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]-N-[(2R)-2-(ethylamino)propyl]benzamide

C16H21N3O3S — CID 120654281

IUPAC3-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]-N-[(2R)-2-(ethylamino)propyl]benzamide
SMILESCCN[C@H](C)CNC(=O)c1cccc(CN2C(=O)CSC2=O)c1
InChIInChI=1S/C16H21N3O3S/c1-3-17-11(2)8-18-15(21)13-6-4-5-12(7-13)9-19-14(20)10-23-16(19)22/h4-7,11,17H,3,8-10H2,1-2H3,(H,18,21)/t11-/m1/s1
InChIKeyRKZGJVSTVUATRS-LLVKDONJSA-N
MW335.43 g/mol
LogP1.61
Rot. Bonds7

About 3-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]-N-[(2R)-2-(ethylamino)propyl]benzamide

3-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]-N-[(2R)-2-(ethylamino)propyl]benzamide (PubChem CID 120654281) has the molecular formula C16H21N3O3S and a molecular weight of 335.43 g/mol. Its IUPAC name is 3-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]-N-[(2R)-2-(ethylamino)propyl]benzamide.

Molecular Properties

Compound Name3-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]-N-[(2R)-2-(ethylamino)propyl]benzamide
PubChem CID120654281
Molecular FormulaC16H21N3O3S
Molecular Weight335.43 g/mol
Exact Mass335.13
IUPAC Name3-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]-N-[(2R)-2-(ethylamino)propyl]benzamide
SMILESCCN[C@H](C)CNC(=O)c1cccc(CN2C(=O)CSC2=O)c1
InChIInChI=1S/C16H21N3O3S/c1-3-17-11(2)8-18-15(21)13-6-4-5-12(7-13)9-19-14(20)10-23-16(19)22/h4-7,11,17H,3,8-10H2,1-2H3,(H,18,21)/t11-/m1/s1
InChIKeyRKZGJVSTVUATRS-LLVKDONJSA-N
XLogP1.61
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]-N-[1-(4-propan-2-ylphenyl)ethyl]benzamide
CID 55542327
3-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]-N-(4-ethylphenyl)benzamide
CID 31401224
N-(1-amino-4-methylpentan-2-yl)-3-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]benzamide;hydrochloride
CID 119587264
3-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]-N-(pyridin-2-ylmethyl)benzamide
CID 36714452
N-[3-(aminomethyl)pentan-3-yl]-3-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]benzamide
CID 119570514
N-(4-bromophenyl)-3-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]benzamide
CID 36704293
3-[(3-oxo-1,4-benzothiazin-4-yl)methyl]-N-propylbenzamide
CID 4004507
3-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]-N-(1-phenylcyclobutyl)benzamide
CID 52558209
N-(2,4-dichlorophenyl)-3-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]benzamide
CID 36709848
3-[(1,3-dioxoisoindol-2-yl)methyl]-N-[2-(methylamino)propyl]benzamide;hydrochloride
CID 120829754
N-(2-chloro-4-fluorophenyl)-3-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]benzamide
CID 55542286
N-[2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-3-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]benzamide
CID 51114966

Frequently Asked Questions

What is the IUPAC name of 3-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]-N-[(2R)-2-(ethylamino)propyl]benzamide?
The IUPAC name of 3-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]-N-[(2R)-2-(ethylamino)propyl]benzamide (CID 120654281) is 3-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]-N-[(2R)-2-(ethylamino)propyl]benzamide.
What is the SMILES notation for 3-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]-N-[(2R)-2-(ethylamino)propyl]benzamide?
The canonical SMILES for 3-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]-N-[(2R)-2-(ethylamino)propyl]benzamide is CCN[C@H](C)CNC(=O)c1cccc(CN2C(=O)CSC2=O)c1.
What is the InChIKey of 3-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]-N-[(2R)-2-(ethylamino)propyl]benzamide?
The InChIKey is RKZGJVSTVUATRS-LLVKDONJSA-N. The full InChI is InChI=1S/C16H21N3O3S/c1-3-17-11(2)8-18-15(21)13-6-4-5-12(7-13)9-19-14(20)10-23-16(19)22/h4-7,11,17H,3,8-10H2,1-2H3,(H,18,21)/t11-/m1/s1.
What are the key properties of 3-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]-N-[(2R)-2-(ethylamino)propyl]benzamide?
3-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]-N-[(2R)-2-(ethylamino)propyl]benzamide has a molecular weight of 335.43 g/mol, XLogP of 1.61, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]-N-[(2R)-2-(ethylamino)propyl]benzamide is sourced from PubChem (CID 120654281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).