2-[(2R)-oxolan-2-yl]-N-[(2S)-2-phenylpropyl]sulfonyl-1,3-thiazole-4-carboxamide

C17H20N2O4S2 — CID 99718728

IUPAC2-[(2R)-oxolan-2-yl]-N-[(2S)-2-phenylpropyl]sulfonyl-1,3-thiazole-4-carboxamide
SMILESC[C@H](CS(=O)(=O)NC(=O)c1csc([C@H]2CCCO2)n1)c1ccccc1
InChIInChI=1S/C17H20N2O4S2/c1-12(13-6-3-2-4-7-13)11-25(21,22)19-16(20)14-10-24-17(18-14)15-8-5-9-23-15/h2-4,6-7,10,12,15H,5,8-9,11H2,1H3,(H,19,20)/t12-,15-/m1/s1
InChIKeyGVDJSUAJJODQQL-IUODEOHRSA-N
MW380.49 g/mol
LogP2.86
Rot. Bonds6

About 2-[(2R)-oxolan-2-yl]-N-[(2S)-2-phenylpropyl]sulfonyl-1,3-thiazole-4-carboxamide

2-[(2R)-oxolan-2-yl]-N-[(2S)-2-phenylpropyl]sulfonyl-1,3-thiazole-4-carboxamide (PubChem CID 99718728) has the molecular formula C17H20N2O4S2 and a molecular weight of 380.49 g/mol. Its IUPAC name is 2-[(2R)-oxolan-2-yl]-N-[(2S)-2-phenylpropyl]sulfonyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-[(2R)-oxolan-2-yl]-N-[(2S)-2-phenylpropyl]sulfonyl-1,3-thiazole-4-carboxamide
PubChem CID99718728
Molecular FormulaC17H20N2O4S2
Molecular Weight380.49 g/mol
Exact Mass380.09
IUPAC Name2-[(2R)-oxolan-2-yl]-N-[(2S)-2-phenylpropyl]sulfonyl-1,3-thiazole-4-carboxamide
SMILESC[C@H](CS(=O)(=O)NC(=O)c1csc([C@H]2CCCO2)n1)c1ccccc1
InChIInChI=1S/C17H20N2O4S2/c1-12(13-6-3-2-4-7-13)11-25(21,22)19-16(20)14-10-24-17(18-14)15-8-5-9-23-15/h2-4,6-7,10,12,15H,5,8-9,11H2,1H3,(H,19,20)/t12-,15-/m1/s1
InChIKeyGVDJSUAJJODQQL-IUODEOHRSA-N
XLogP2.86
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(2R)-oxolan-2-yl]-N-[(2R)-2-phenylpropyl]sulfonyl-1,3-thiazole-4-carboxamide
CID 99718727
N-[(2R)-2-methylbutyl]sulfonyl-2-[(2R)-oxolan-2-yl]-1,3-thiazole-4-carboxamide
CID 99718542
(2R)-2-[[2-(oxolan-2-yl)-1,3-thiazole-4-carbonyl]amino]propanoic acid
CID 120526981
N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-2-[(2S)-oxolan-2-yl]-1,3-thiazole-4-carboxamide
CID 97331883
(1R)-N-[[2-(oxolan-2-yl)-1,3-thiazol-4-yl]methyl]-1-phenylethanamine
CID 86782178
N-[(1S)-3-methyl-1-pyridin-2-ylbutyl]-2-[(2R)-oxolan-2-yl]-1,3-thiazole-4-carboxamide
CID 97244066
4-[[2-(oxolan-2-yl)-1,3-thiazole-4-carbonyl]amino]butanoic acid
CID 120513455
cis-(1R,3S)-3-[[2-(oxolan-2-yl)-1,3-thiazole-4-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 120678709
1-[[2-(oxolan-2-yl)-1,3-thiazole-4-carbonyl]amino]cyclopropane-1-carboxylic acid
CID 120530552
4-methyl-3-[[2-(oxolan-2-yl)-1,3-thiazole-4-carbonyl]amino]benzoic acid
CID 120522343
N-[(2-hydroxycyclopentyl)methyl]-2-(oxolan-2-yl)-1,3-thiazole-4-carboxamide
CID 109476494
N-[2-ethyl-2-(hydroxymethyl)butyl]-2-(oxolan-2-yl)-1,3-thiazole-4-carboxamide
CID 109481376

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-oxolan-2-yl]-N-[(2S)-2-phenylpropyl]sulfonyl-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-[(2R)-oxolan-2-yl]-N-[(2S)-2-phenylpropyl]sulfonyl-1,3-thiazole-4-carboxamide (CID 99718728) is 2-[(2R)-oxolan-2-yl]-N-[(2S)-2-phenylpropyl]sulfonyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-[(2R)-oxolan-2-yl]-N-[(2S)-2-phenylpropyl]sulfonyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-[(2R)-oxolan-2-yl]-N-[(2S)-2-phenylpropyl]sulfonyl-1,3-thiazole-4-carboxamide is C[C@H](CS(=O)(=O)NC(=O)c1csc([C@H]2CCCO2)n1)c1ccccc1.
What is the InChIKey of 2-[(2R)-oxolan-2-yl]-N-[(2S)-2-phenylpropyl]sulfonyl-1,3-thiazole-4-carboxamide?
The InChIKey is GVDJSUAJJODQQL-IUODEOHRSA-N. The full InChI is InChI=1S/C17H20N2O4S2/c1-12(13-6-3-2-4-7-13)11-25(21,22)19-16(20)14-10-24-17(18-14)15-8-5-9-23-15/h2-4,6-7,10,12,15H,5,8-9,11H2,1H3,(H,19,20)/t12-,15-/m1/s1.
What are the key properties of 2-[(2R)-oxolan-2-yl]-N-[(2S)-2-phenylpropyl]sulfonyl-1,3-thiazole-4-carboxamide?
2-[(2R)-oxolan-2-yl]-N-[(2S)-2-phenylpropyl]sulfonyl-1,3-thiazole-4-carboxamide has a molecular weight of 380.49 g/mol, XLogP of 2.86, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-oxolan-2-yl]-N-[(2S)-2-phenylpropyl]sulfonyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 99718728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).