(2S)-2-[[2-methoxy-5-(1,1,3-trioxo-1,2-thiazolidin-2-yl)phenyl]sulfonylamino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide

C17H20N4O8S2 — CID 22695113

IUPAC(2S)-2-[[2-methoxy-5-(1,1,3-trioxo-1,2-thiazolidin-2-yl)phenyl]sulfonylamino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
SMILESCOc1ccc(N2C(=O)CCS2(=O)=O)cc1S(=O)(=O)N[C@@H](C)C(=O)Nc1cc(C)on1
InChIInChI=1S/C17H20N4O8S2/c1-10-8-15(19-29-10)18-17(23)11(2)20-31(26,27)14-9-12(4-5-13(14)28-3)21-16(22)6-7-30(21,24)25/h4-5,8-9,11,20H,6-7H2,1-3H3,(H,18,19,23)/t11-/m0/s1
InChIKeyIRTKTELHFKVDSP-NSHDSACASA-N
MW472.50 g/mol
LogP0.36
Rot. Bonds7

About (2S)-2-[[2-methoxy-5-(1,1,3-trioxo-1,2-thiazolidin-2-yl)phenyl]sulfonylamino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide

(2S)-2-[[2-methoxy-5-(1,1,3-trioxo-1,2-thiazolidin-2-yl)phenyl]sulfonylamino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide (PubChem CID 22695113) has the molecular formula C17H20N4O8S2 and a molecular weight of 472.50 g/mol. Its IUPAC name is (2S)-2-[[2-methoxy-5-(1,1,3-trioxo-1,2-thiazolidin-2-yl)phenyl]sulfonylamino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide.

Molecular Properties

Compound Name(2S)-2-[[2-methoxy-5-(1,1,3-trioxo-1,2-thiazolidin-2-yl)phenyl]sulfonylamino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
PubChem CID22695113
Molecular FormulaC17H20N4O8S2
Molecular Weight472.50 g/mol
Exact Mass472.07
IUPAC Name(2S)-2-[[2-methoxy-5-(1,1,3-trioxo-1,2-thiazolidin-2-yl)phenyl]sulfonylamino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
SMILESCOc1ccc(N2C(=O)CCS2(=O)=O)cc1S(=O)(=O)N[C@@H](C)C(=O)Nc1cc(C)on1
InChIInChI=1S/C17H20N4O8S2/c1-10-8-15(19-29-10)18-17(23)11(2)20-31(26,27)14-9-12(4-5-13(14)28-3)21-16(22)6-7-30(21,24)25/h4-5,8-9,11,20H,6-7H2,1-3H3,(H,18,19,23)/t11-/m0/s1
InChIKeyIRTKTELHFKVDSP-NSHDSACASA-N
XLogP0.36
TPSA164.98 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.50
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze (2S)-2-[[2-methoxy-5-(1,1,3-trioxo-1,2-thiazolidin-2-yl)phenyl]sulfonylamino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide with MolForge

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Related Compounds

2-methoxy-N-propan-2-yl-5-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide
CID 22694392
2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-5-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide
CID 22695075
(2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-[[4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)phenyl]sulfonylamino]propanamide
CID 21004888
N-(4-bromo-2-methylphenyl)-2-methoxy-5-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide
CID 21004930
N-(1,3-benzodioxol-5-yl)-2-methoxy-5-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide
CID 20996141
N-(2-chlorophenyl)-2-methoxy-5-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide
CID 20996101
2-[4-methoxy-3-[(2-methyl-4,5-dihydroimidazol-1-yl)sulfonyl]phenyl]-1,1-dioxo-1,2-thiazolidin-3-one
CID 22694381
N-(2,4-dimethoxyphenyl)-2-methyl-5-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide
CID 20996013
N-[(2S)-butan-2-yl]-2-methyl-5-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide
CID 42342558
2-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)-5-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide
CID 21004935
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-methoxy-5-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide
CID 21004940
(2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-[(3-methylphenyl)sulfonylamino]propanamide
CID 112507138

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[2-methoxy-5-(1,1,3-trioxo-1,2-thiazolidin-2-yl)phenyl]sulfonylamino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
The IUPAC name of (2S)-2-[[2-methoxy-5-(1,1,3-trioxo-1,2-thiazolidin-2-yl)phenyl]sulfonylamino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide (CID 22695113) is (2S)-2-[[2-methoxy-5-(1,1,3-trioxo-1,2-thiazolidin-2-yl)phenyl]sulfonylamino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide.
What is the SMILES notation for (2S)-2-[[2-methoxy-5-(1,1,3-trioxo-1,2-thiazolidin-2-yl)phenyl]sulfonylamino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
The canonical SMILES for (2S)-2-[[2-methoxy-5-(1,1,3-trioxo-1,2-thiazolidin-2-yl)phenyl]sulfonylamino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide is COc1ccc(N2C(=O)CCS2(=O)=O)cc1S(=O)(=O)N[C@@H](C)C(=O)Nc1cc(C)on1.
What is the InChIKey of (2S)-2-[[2-methoxy-5-(1,1,3-trioxo-1,2-thiazolidin-2-yl)phenyl]sulfonylamino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
The InChIKey is IRTKTELHFKVDSP-NSHDSACASA-N. The full InChI is InChI=1S/C17H20N4O8S2/c1-10-8-15(19-29-10)18-17(23)11(2)20-31(26,27)14-9-12(4-5-13(14)28-3)21-16(22)6-7-30(21,24)25/h4-5,8-9,11,20H,6-7H2,1-3H3,(H,18,19,23)/t11-/m0/s1.
What are the key properties of (2S)-2-[[2-methoxy-5-(1,1,3-trioxo-1,2-thiazolidin-2-yl)phenyl]sulfonylamino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
(2S)-2-[[2-methoxy-5-(1,1,3-trioxo-1,2-thiazolidin-2-yl)phenyl]sulfonylamino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide has a molecular weight of 472.50 g/mol, XLogP of 0.36, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[2-methoxy-5-(1,1,3-trioxo-1,2-thiazolidin-2-yl)phenyl]sulfonylamino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide is sourced from PubChem (CID 22695113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).