2-[[5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methylphenyl]sulfonylamino]-N-(1,3-thiazol-2-yl)propanamide

C18H19N5O4S2 — CID 50823581

IUPAC2-[[5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methylphenyl]sulfonylamino]-N-(1,3-thiazol-2-yl)propanamide
SMILESCc1ccc(-c2noc(C3CC3)n2)cc1S(=O)(=O)NC(C)C(=O)Nc1nccs1
InChIInChI=1S/C18H19N5O4S2/c1-10-3-4-13(15-20-17(27-22-15)12-5-6-12)9-14(10)29(25,26)23-11(2)16(24)21-18-19-7-8-28-18/h3-4,7-9,11-12,23H,5-6H2,1-2H3,(H,19,21,24)
InChIKeyHERYKEILDVPOPQ-UHFFFAOYSA-N
MW433.52 g/mol
LogP2.68
Rot. Bonds7

About 2-[[5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methylphenyl]sulfonylamino]-N-(1,3-thiazol-2-yl)propanamide

2-[[5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methylphenyl]sulfonylamino]-N-(1,3-thiazol-2-yl)propanamide (PubChem CID 50823581) has the molecular formula C18H19N5O4S2 and a molecular weight of 433.52 g/mol. Its IUPAC name is 2-[[5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methylphenyl]sulfonylamino]-N-(1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name2-[[5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methylphenyl]sulfonylamino]-N-(1,3-thiazol-2-yl)propanamide
PubChem CID50823581
Molecular FormulaC18H19N5O4S2
Molecular Weight433.52 g/mol
Exact Mass433.09
IUPAC Name2-[[5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methylphenyl]sulfonylamino]-N-(1,3-thiazol-2-yl)propanamide
SMILESCc1ccc(-c2noc(C3CC3)n2)cc1S(=O)(=O)NC(C)C(=O)Nc1nccs1
InChIInChI=1S/C18H19N5O4S2/c1-10-3-4-13(15-20-17(27-22-15)12-5-6-12)9-14(10)29(25,26)23-11(2)16(24)21-18-19-7-8-28-18/h3-4,7-9,11-12,23H,5-6H2,1-2H3,(H,19,21,24)
InChIKeyHERYKEILDVPOPQ-UHFFFAOYSA-N
XLogP2.68
TPSA127.08 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.52
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

(2S)-2-[[5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methylphenyl]sulfonylamino]-N-propan-2-ylpropanamide
CID 92895603
(2S)-2-[[5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methylphenyl]sulfonylamino]-N-(3,5-dimethylphenyl)propanamide
CID 92880630
2-[[5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methylphenyl]sulfonylamino]-N-(6-methyl-1,3-benzothiazol-2-yl)propanamide
CID 50823584
(2R)-N-cycloheptyl-2-[[5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methylphenyl]sulfonylamino]propanamide
CID 92880619
N-(4-chlorophenyl)-2-[[5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methylphenyl]sulfonylamino]propanamide
CID 50823627
N-(3-chloro-4-methylphenyl)-2-[[5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methylphenyl]sulfonylamino]propanamide
CID 50823775
N-(2-chloro-4-fluorophenyl)-2-[[5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methylphenyl]sulfonylamino]propanamide
CID 50823628
5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-[1-(4-ethylpiperazin-1-yl)-1-oxopropan-2-yl]-2-methylbenzenesulfonamide
CID 50823583
5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 46365811
5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methyl-N-[(2R)-1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]benzenesulfonamide
CID 92895596
2-[(4-methylphenyl)sulfonylamino]-N-(1,3-thiazol-2-yl)propanamide
CID 3613699
1-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-fluorophenyl]-N-(1,3-thiazol-2-yl)piperidine-2-carboxamide
CID 91952117

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methylphenyl]sulfonylamino]-N-(1,3-thiazol-2-yl)propanamide?
The IUPAC name of 2-[[5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methylphenyl]sulfonylamino]-N-(1,3-thiazol-2-yl)propanamide (CID 50823581) is 2-[[5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methylphenyl]sulfonylamino]-N-(1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for 2-[[5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methylphenyl]sulfonylamino]-N-(1,3-thiazol-2-yl)propanamide?
The canonical SMILES for 2-[[5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methylphenyl]sulfonylamino]-N-(1,3-thiazol-2-yl)propanamide is Cc1ccc(-c2noc(C3CC3)n2)cc1S(=O)(=O)NC(C)C(=O)Nc1nccs1.
What is the InChIKey of 2-[[5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methylphenyl]sulfonylamino]-N-(1,3-thiazol-2-yl)propanamide?
The InChIKey is HERYKEILDVPOPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O4S2/c1-10-3-4-13(15-20-17(27-22-15)12-5-6-12)9-14(10)29(25,26)23-11(2)16(24)21-18-19-7-8-28-18/h3-4,7-9,11-12,23H,5-6H2,1-2H3,(H,19,21,24).
What are the key properties of 2-[[5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methylphenyl]sulfonylamino]-N-(1,3-thiazol-2-yl)propanamide?
2-[[5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methylphenyl]sulfonylamino]-N-(1,3-thiazol-2-yl)propanamide has a molecular weight of 433.52 g/mol, XLogP of 2.68, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methylphenyl]sulfonylamino]-N-(1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 50823581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).