N-[2-methyl-2-[[(1R)-1-phenylethyl]amino]propyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide

C18H27N3O2S — CID 95153761

IUPACN-[2-methyl-2-[[(1R)-1-phenylethyl]amino]propyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
SMILESC[C@@H](NC(C)(C)CNC(=O)CCN1CCSC1=O)c1ccccc1
InChIInChI=1S/C18H27N3O2S/c1-14(15-7-5-4-6-8-15)20-18(2,3)13-19-16(22)9-10-21-11-12-24-17(21)23/h4-8,14,20H,9-13H2,1-3H3,(H,19,22)/t14-/m1/s1
InChIKeyAKGHKBPCCBQUEF-CQSZACIVSA-N
MW349.50 g/mol
LogP2.79
Rot. Bonds8

About N-[2-methyl-2-[[(1R)-1-phenylethyl]amino]propyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide

N-[2-methyl-2-[[(1R)-1-phenylethyl]amino]propyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide (PubChem CID 95153761) has the molecular formula C18H27N3O2S and a molecular weight of 349.50 g/mol. Its IUPAC name is N-[2-methyl-2-[[(1R)-1-phenylethyl]amino]propyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide.

Molecular Properties

Compound NameN-[2-methyl-2-[[(1R)-1-phenylethyl]amino]propyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
PubChem CID95153761
Molecular FormulaC18H27N3O2S
Molecular Weight349.50 g/mol
Exact Mass349.18
IUPAC NameN-[2-methyl-2-[[(1R)-1-phenylethyl]amino]propyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
SMILESC[C@@H](NC(C)(C)CNC(=O)CCN1CCSC1=O)c1ccccc1
InChIInChI=1S/C18H27N3O2S/c1-14(15-7-5-4-6-8-15)20-18(2,3)13-19-16(22)9-10-21-11-12-24-17(21)23/h4-8,14,20H,9-13H2,1-3H3,(H,19,22)/t14-/m1/s1
InChIKeyAKGHKBPCCBQUEF-CQSZACIVSA-N
XLogP2.79
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.50
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(4-fluorophenyl)ethyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
CID 18093564
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CID 18093617
N-(2,2-diphenylpropyl)-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide
CID 18093818
3-(2-oxo-1,3-thiazolidin-3-yl)-N-propylpropanamide
CID 60682333
N-(2-hydroxy-3-methylbutyl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
CID 113268449
2-(2-oxo-1,3-thiazolidin-3-yl)-N-[(2R)-2-phenylpropyl]acetamide
CID 9089962
N-[2,6-di(propan-2-yl)phenyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
CID 9243763
N-[(2R)-1-hydroxypropan-2-yl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
CID 79027316
2-methyl-2-[3-(2-oxo-1,3-thiazolidin-3-yl)propanoylamino]propanoic acid
CID 61263918
N-[(2-fluorophenyl)methyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
CID 9245524
(3R)-3-[3-(2-oxo-1,3-thiazolidin-3-yl)propanoylamino]butanoic acid
CID 93310556
2-chloro-N-[2-[3-(2-oxo-1,3-thiazolidin-3-yl)propanoylamino]ethyl]benzamide
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Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-2-[[(1R)-1-phenylethyl]amino]propyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide?
The IUPAC name of N-[2-methyl-2-[[(1R)-1-phenylethyl]amino]propyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide (CID 95153761) is N-[2-methyl-2-[[(1R)-1-phenylethyl]amino]propyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide.
What is the SMILES notation for N-[2-methyl-2-[[(1R)-1-phenylethyl]amino]propyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide?
The canonical SMILES for N-[2-methyl-2-[[(1R)-1-phenylethyl]amino]propyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide is C[C@@H](NC(C)(C)CNC(=O)CCN1CCSC1=O)c1ccccc1.
What is the InChIKey of N-[2-methyl-2-[[(1R)-1-phenylethyl]amino]propyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide?
The InChIKey is AKGHKBPCCBQUEF-CQSZACIVSA-N. The full InChI is InChI=1S/C18H27N3O2S/c1-14(15-7-5-4-6-8-15)20-18(2,3)13-19-16(22)9-10-21-11-12-24-17(21)23/h4-8,14,20H,9-13H2,1-3H3,(H,19,22)/t14-/m1/s1.
What are the key properties of N-[2-methyl-2-[[(1R)-1-phenylethyl]amino]propyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide?
N-[2-methyl-2-[[(1R)-1-phenylethyl]amino]propyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide has a molecular weight of 349.50 g/mol, XLogP of 2.79, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-2-[[(1R)-1-phenylethyl]amino]propyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide is sourced from PubChem (CID 95153761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).