(4R)-3-benzoyl-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-1,3-thiazolidine-4-carboxamide

C18H25N3O3S — CID 55941886

IUPAC(4R)-3-benzoyl-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-1,3-thiazolidine-4-carboxamide
SMILESCCN(CC(=O)NC(C)C)C(=O)[C@@H]1CSCN1C(=O)c1ccccc1
InChIInChI=1S/C18H25N3O3S/c1-4-20(10-16(22)19-13(2)3)18(24)15-11-25-12-21(15)17(23)14-8-6-5-7-9-14/h5-9,13,15H,4,10-12H2,1-3H3,(H,19,22)/t15-/m0/s1
InChIKeyIGZFANNOHRPCQR-HNNXBMFYSA-N
MW363.48 g/mol
LogP1.57
Rot. Bonds6

About (4R)-3-benzoyl-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-1,3-thiazolidine-4-carboxamide

(4R)-3-benzoyl-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-1,3-thiazolidine-4-carboxamide (PubChem CID 55941886) has the molecular formula C18H25N3O3S and a molecular weight of 363.48 g/mol. Its IUPAC name is (4R)-3-benzoyl-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name(4R)-3-benzoyl-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-1,3-thiazolidine-4-carboxamide
PubChem CID55941886
Molecular FormulaC18H25N3O3S
Molecular Weight363.48 g/mol
Exact Mass363.16
IUPAC Name(4R)-3-benzoyl-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-1,3-thiazolidine-4-carboxamide
SMILESCCN(CC(=O)NC(C)C)C(=O)[C@@H]1CSCN1C(=O)c1ccccc1
InChIInChI=1S/C18H25N3O3S/c1-4-20(10-16(22)19-13(2)3)18(24)15-11-25-12-21(15)17(23)14-8-6-5-7-9-14/h5-9,13,15H,4,10-12H2,1-3H3,(H,19,22)/t15-/m0/s1
InChIKeyIGZFANNOHRPCQR-HNNXBMFYSA-N
XLogP1.57
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.48
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4R)-3-benzoyl-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-1,3-thiazolidine-4-carboxamide?
The IUPAC name of (4R)-3-benzoyl-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-1,3-thiazolidine-4-carboxamide (CID 55941886) is (4R)-3-benzoyl-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for (4R)-3-benzoyl-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for (4R)-3-benzoyl-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-1,3-thiazolidine-4-carboxamide is CCN(CC(=O)NC(C)C)C(=O)[C@@H]1CSCN1C(=O)c1ccccc1.
What is the InChIKey of (4R)-3-benzoyl-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-1,3-thiazolidine-4-carboxamide?
The InChIKey is IGZFANNOHRPCQR-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H25N3O3S/c1-4-20(10-16(22)19-13(2)3)18(24)15-11-25-12-21(15)17(23)14-8-6-5-7-9-14/h5-9,13,15H,4,10-12H2,1-3H3,(H,19,22)/t15-/m0/s1.
What are the key properties of (4R)-3-benzoyl-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-1,3-thiazolidine-4-carboxamide?
(4R)-3-benzoyl-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-1,3-thiazolidine-4-carboxamide has a molecular weight of 363.48 g/mol, XLogP of 1.57, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-benzoyl-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 55941886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).