(2S)-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propanamide

C19H23N3O3S — CID 9495218

IUPAC(2S)-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propanamide
SMILESC[C@@H](C(=O)NCCN1C(=O)CSC1=O)N1CC=C(c2ccccc2)CC1
InChIInChI=1S/C19H23N3O3S/c1-14(18(24)20-9-12-22-17(23)13-26-19(22)25)21-10-7-16(8-11-21)15-5-3-2-4-6-15/h2-7,14H,8-13H2,1H3,(H,20,24)/t14-/m0/s1
InChIKeyDFNJFYCXGKMPGX-AWEZNQCLSA-N
MW373.48 g/mol
LogP1.98
Rot. Bonds6

About (2S)-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propanamide

(2S)-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propanamide (PubChem CID 9495218) has the molecular formula C19H23N3O3S and a molecular weight of 373.48 g/mol. Its IUPAC name is (2S)-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propanamide.

Molecular Properties

Compound Name(2S)-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propanamide
PubChem CID9495218
Molecular FormulaC19H23N3O3S
Molecular Weight373.48 g/mol
Exact Mass373.15
IUPAC Name(2S)-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propanamide
SMILESC[C@@H](C(=O)NCCN1C(=O)CSC1=O)N1CC=C(c2ccccc2)CC1
InChIInChI=1S/C19H23N3O3S/c1-14(18(24)20-9-12-22-17(23)13-26-19(22)25)21-10-7-16(8-11-21)15-5-3-2-4-6-15/h2-7,14H,8-13H2,1H3,(H,20,24)/t14-/m0/s1
InChIKeyDFNJFYCXGKMPGX-AWEZNQCLSA-N
XLogP1.98
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propanamide?
The IUPAC name of (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) is (2S)-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propanamide.
What is the SMILES notation for (2S)-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propanamide?
The canonical SMILES for (2S)-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propanamide is C[C@@H](C(=O)NCCN1C(=O)CSC1=O)N1CC=C(c2ccccc2)CC1.
What is the InChIKey of (2S)-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propanamide?
The InChIKey is DFNJFYCXGKMPGX-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H23N3O3S/c1-14(18(24)20-9-12-22-17(23)13-26-19(22)25)21-10-7-16(8-11-21)15-5-3-2-4-6-15/h2-7,14H,8-13H2,1H3,(H,20,24)/t14-/m0/s1.
What are the key properties of (2S)-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propanamide?
(2S)-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propanamide has a molecular weight of 373.48 g/mol, XLogP of 1.98, 6 rotatable bonds, 1 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-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propanamide is sourced from PubChem (CID 9495218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).