(2S)-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-2-[[(1R)-1-phenylethyl]amino]propanamide

C16H21N3O3S — CID 9248803

IUPAC(2S)-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-2-[[(1R)-1-phenylethyl]amino]propanamide
SMILESC[C@H](N[C@H](C)c1ccccc1)C(=O)NCCN1C(=O)CSC1=O
InChIInChI=1S/C16H21N3O3S/c1-11(13-6-4-3-5-7-13)18-12(2)15(21)17-8-9-19-14(20)10-23-16(19)22/h3-7,11-12,18H,8-10H2,1-2H3,(H,17,21)/t11-,12+/m1/s1
InChIKeyWVHGGMINSVRKSG-NEPJUHHUSA-N
MW335.43 g/mol
LogP1.54
Rot. Bonds7

About (2S)-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-2-[[(1R)-1-phenylethyl]amino]propanamide

(2S)-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-2-[[(1R)-1-phenylethyl]amino]propanamide (PubChem CID 9248803) has the molecular formula C16H21N3O3S and a molecular weight of 335.43 g/mol. Its IUPAC name is (2S)-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-2-[[(1R)-1-phenylethyl]amino]propanamide.

Molecular Properties

Compound Name(2S)-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-2-[[(1R)-1-phenylethyl]amino]propanamide
PubChem CID9248803
Molecular FormulaC16H21N3O3S
Molecular Weight335.43 g/mol
Exact Mass335.13
IUPAC Name(2S)-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-2-[[(1R)-1-phenylethyl]amino]propanamide
SMILESC[C@H](N[C@H](C)c1ccccc1)C(=O)NCCN1C(=O)CSC1=O
InChIInChI=1S/C16H21N3O3S/c1-11(13-6-4-3-5-7-13)18-12(2)15(21)17-8-9-19-14(20)10-23-16(19)22/h3-7,11-12,18H,8-10H2,1-2H3,(H,17,21)/t11-,12+/m1/s1
InChIKeyWVHGGMINSVRKSG-NEPJUHHUSA-N
XLogP1.54
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 ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (2S)-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-2-[[(1R)-1-phenylethyl]amino]propanamide 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

(2S)-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-2-[[(1S)-1-phenylethyl]amino]propanamide
CID 9248801
(2R)-2-benzylsulfanyl-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]propanamide
CID 9459483
N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-3-methyl-2-[(2-phenylacetyl)amino]butanamide
CID 55957884
N-ethyl-2-[[(1R)-1-phenylethyl]amino]propanamide
CID 78952919
1-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-3-(2-methylphenyl)urea
CID 108894217
N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-N'-(2-propan-2-ylphenyl)oxamide
CID 108500644
N-(2-methylpropyl)-2-[[(1S)-1-phenylethyl]amino]propanamide
CID 63705951
(2S)-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propanamide
CID 9495218
2-anilino-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]acetamide
CID 119726337
N-methyl-2-[[(1S)-1-phenylethyl]amino]propanamide
CID 63866912
N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-2-phenylpyrimidine-5-carboxamide
CID 47806814
N'-butan-2-yl-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]oxamide
CID 108505526

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-2-[[(1R)-1-phenylethyl]amino]propanamide?
The IUPAC name of (2S)-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-2-[[(1R)-1-phenylethyl]amino]propanamide (CID 9248803) is (2S)-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-2-[[(1R)-1-phenylethyl]amino]propanamide.
What is the SMILES notation for (2S)-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-2-[[(1R)-1-phenylethyl]amino]propanamide?
The canonical SMILES for (2S)-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-2-[[(1R)-1-phenylethyl]amino]propanamide is C[C@H](N[C@H](C)c1ccccc1)C(=O)NCCN1C(=O)CSC1=O.
What is the InChIKey of (2S)-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-2-[[(1R)-1-phenylethyl]amino]propanamide?
The InChIKey is WVHGGMINSVRKSG-NEPJUHHUSA-N. The full InChI is InChI=1S/C16H21N3O3S/c1-11(13-6-4-3-5-7-13)18-12(2)15(21)17-8-9-19-14(20)10-23-16(19)22/h3-7,11-12,18H,8-10H2,1-2H3,(H,17,21)/t11-,12+/m1/s1.
What are the key properties of (2S)-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-2-[[(1R)-1-phenylethyl]amino]propanamide?
(2S)-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-2-[[(1R)-1-phenylethyl]amino]propanamide has a molecular weight of 335.43 g/mol, XLogP of 1.54, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-2-[[(1R)-1-phenylethyl]amino]propanamide is sourced from PubChem (CID 9248803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).