4-[(4R)-4-formyl-1,3-thiazolidin-3-yl]-N-(naphthalen-2-ylmethyl)-4-oxobutanamide

C19H20N2O3S — CID 14458004

IUPAC4-[(4R)-4-formyl-1,3-thiazolidin-3-yl]-N-(naphthalen-2-ylmethyl)-4-oxobutanamide
SMILESO=C[C@@H]1CSCN1C(=O)CCC(=O)NCc1ccc2ccccc2c1
InChIInChI=1S/C19H20N2O3S/c22-11-17-12-25-13-21(17)19(24)8-7-18(23)20-10-14-5-6-15-3-1-2-4-16(15)9-14/h1-6,9,11,17H,7-8,10,12-13H2,(H,20,23)/t17-/m1/s1
InChIKeyOLBPIMYERXOGEP-QGZVFWFLSA-N
MW356.45 g/mol
LogP2.34
Rot. Bonds6

About 4-[(4R)-4-formyl-1,3-thiazolidin-3-yl]-N-(naphthalen-2-ylmethyl)-4-oxobutanamide

4-[(4R)-4-formyl-1,3-thiazolidin-3-yl]-N-(naphthalen-2-ylmethyl)-4-oxobutanamide (PubChem CID 14458004) has the molecular formula C19H20N2O3S and a molecular weight of 356.45 g/mol. Its IUPAC name is 4-[(4R)-4-formyl-1,3-thiazolidin-3-yl]-N-(naphthalen-2-ylmethyl)-4-oxobutanamide.

Molecular Properties

Compound Name4-[(4R)-4-formyl-1,3-thiazolidin-3-yl]-N-(naphthalen-2-ylmethyl)-4-oxobutanamide
PubChem CID14458004
Molecular FormulaC19H20N2O3S
Molecular Weight356.45 g/mol
Exact Mass356.12
IUPAC Name4-[(4R)-4-formyl-1,3-thiazolidin-3-yl]-N-(naphthalen-2-ylmethyl)-4-oxobutanamide
SMILESO=C[C@@H]1CSCN1C(=O)CCC(=O)NCc1ccc2ccccc2c1
InChIInChI=1S/C19H20N2O3S/c22-11-17-12-25-13-21(17)19(24)8-7-18(23)20-10-14-5-6-15-3-1-2-4-16(15)9-14/h1-6,9,11,17H,7-8,10,12-13H2,(H,20,23)/t17-/m1/s1
InChIKeyOLBPIMYERXOGEP-QGZVFWFLSA-N
XLogP2.34
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-hydroxy-N-(naphthalen-2-ylmethyl)propanamide
CID 115139108
methyl 3-[4-[(4-methylphenyl)methylamino]-4-oxobutanoyl]-1,3-thiazolidine-4-carboxylate
CID 14457934
N-(naphthalen-2-ylmethyl)-2-oxoacetamide
CID 54357597
4-[(2S)-2-formylpyrrolidin-1-yl]-4-oxo-N-[[4-(trifluoromethyl)phenyl]methyl]butanamide
CID 14674735
N-[(4-methoxyphenyl)methyl]-4-(2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl)-4-oxobutanamide
CID 20899624
3-amino-N-[[1-(3-naphthalen-2-ylpropanoyl)piperidin-2-yl]methyl]propanamide
CID 120579103
N-[3-[(4-cyanophenyl)methylamino]-3-oxopropyl]naphthalene-2-carboxamide
CID 46481818
(4R)-N-[(3-methoxyphenyl)methyl]-3-pentanoyl-1,3-thiazolidine-4-carboxamide
CID 95737503
N-(naphthalen-2-ylmethyl)benzamide
CID 47161333
N-naphthalen-1-yl-2-naphthalen-2-ylacetamide
CID 16849654
N-[[(3R)-1-cyclopropylpyrrolidin-3-yl]methyl]-3-naphthalen-2-ylpropanamide
CID 95303171
(4R)-3-[(E)-3-[4-(4-phenylbutoxy)phenyl]prop-2-enoyl]-1,3-thiazolidine-4-carbaldehyde
CID 14457954

Frequently Asked Questions

What is the IUPAC name of 4-[(4R)-4-formyl-1,3-thiazolidin-3-yl]-N-(naphthalen-2-ylmethyl)-4-oxobutanamide?
The IUPAC name of 4-[(4R)-4-formyl-1,3-thiazolidin-3-yl]-N-(naphthalen-2-ylmethyl)-4-oxobutanamide (CID 14458004) is 4-[(4R)-4-formyl-1,3-thiazolidin-3-yl]-N-(naphthalen-2-ylmethyl)-4-oxobutanamide.
What is the SMILES notation for 4-[(4R)-4-formyl-1,3-thiazolidin-3-yl]-N-(naphthalen-2-ylmethyl)-4-oxobutanamide?
The canonical SMILES for 4-[(4R)-4-formyl-1,3-thiazolidin-3-yl]-N-(naphthalen-2-ylmethyl)-4-oxobutanamide is O=C[C@@H]1CSCN1C(=O)CCC(=O)NCc1ccc2ccccc2c1.
What is the InChIKey of 4-[(4R)-4-formyl-1,3-thiazolidin-3-yl]-N-(naphthalen-2-ylmethyl)-4-oxobutanamide?
The InChIKey is OLBPIMYERXOGEP-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H20N2O3S/c22-11-17-12-25-13-21(17)19(24)8-7-18(23)20-10-14-5-6-15-3-1-2-4-16(15)9-14/h1-6,9,11,17H,7-8,10,12-13H2,(H,20,23)/t17-/m1/s1.
What are the key properties of 4-[(4R)-4-formyl-1,3-thiazolidin-3-yl]-N-(naphthalen-2-ylmethyl)-4-oxobutanamide?
4-[(4R)-4-formyl-1,3-thiazolidin-3-yl]-N-(naphthalen-2-ylmethyl)-4-oxobutanamide has a molecular weight of 356.45 g/mol, XLogP of 2.34, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4R)-4-formyl-1,3-thiazolidin-3-yl]-N-(naphthalen-2-ylmethyl)-4-oxobutanamide is sourced from PubChem (CID 14458004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).