(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

C17H20N4O7S2 — CID 21004888

IUPAC(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
SMILESCc1cc(NC(=O)[C@H](C)NS(=O)(=O)c2ccc(N3C(=O)C(C)CS3(=O)=O)cc2)no1
InChIInChI=1S/C17H20N4O7S2/c1-10-9-29(24,25)21(17(10)23)13-4-6-14(7-5-13)30(26,27)20-12(3)16(22)18-15-8-11(2)28-19-15/h4-8,10,12,20H,9H2,1-3H3,(H,18,19,22)/t10?,12-/m0/s1
InChIKeySZCZELGGTUIKGP-KFJBMODSSA-N
MW456.50 g/mol
LogP0.60
Rot. Bonds6

About (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

(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 (PubChem CID 21004888) has the molecular formula C17H20N4O7S2 and a molecular weight of 456.50 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID21004888
Molecular FormulaC17H20N4O7S2
Molecular Weight456.50 g/mol
Exact Mass456.08
IUPAC Name(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
SMILESCc1cc(NC(=O)[C@H](C)NS(=O)(=O)c2ccc(N3C(=O)C(C)CS3(=O)=O)cc2)no1
InChIInChI=1S/C17H20N4O7S2/c1-10-9-29(24,25)21(17(10)23)13-4-6-14(7-5-13)30(26,27)20-12(3)16(22)18-15-8-11(2)28-19-15/h4-8,10,12,20H,9H2,1-3H3,(H,18,19,22)/t10?,12-/m0/s1
InChIKeySZCZELGGTUIKGP-KFJBMODSSA-N
XLogP0.60
TPSA155.75 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.50
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

2-chloro-N-(5-methyl-1,2-oxazol-3-yl)-4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
CID 21007345
(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
(2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-[(3-methylphenyl)sulfonylamino]propanamide
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(2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-[(2-oxo-1,3-dihydroindol-5-yl)sulfonylamino]propanamide
CID 112507154
(2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-[[(3S,4R)-4-(4-methylphenyl)sulfonyl-1,1-dioxothiolan-3-yl]amino]propanamide
CID 21006064
(2S)-2-[(5,6-dichloro-3-pyridinyl)sulfonylamino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 110304375
4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-N-(3,4,5-trimethoxyphenyl)benzenesulfonamide
CID 21004841
(2S)-2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 112507157
N-(5-methyl-1,2-oxazol-3-yl)-2-(propylsulfamoylamino)propanamide
CID 110624121
(2S)-2-[(4-fluorophenyl)methylsulfonylamino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 51711263
2-[(4-chlorophenyl)sulfonylamino]-N-(5-methyl-1,2-oxazol-3-yl)-3-phenylpropanamide
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N-(4-methylphenyl)-4-[(4S)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benzamide
CID 26824282

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is Cc1cc(NC(=O)[C@H](C)NS(=O)(=O)c2ccc(N3C(=O)C(C)CS3(=O)=O)cc2)no1.
What is the InChIKey of (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?
The InChIKey is SZCZELGGTUIKGP-KFJBMODSSA-N. The full InChI is InChI=1S/C17H20N4O7S2/c1-10-9-29(24,25)21(17(10)23)13-4-6-14(7-5-13)30(26,27)20-12(3)16(22)18-15-8-11(2)28-19-15/h4-8,10,12,20H,9H2,1-3H3,(H,18,19,22)/t10?,12-/m0/s1.
What are the key properties of (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?
(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 has a molecular weight of 456.50 g/mol, XLogP of 0.60, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 21004888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).