N-(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)-4-methyl-2-(2-methylpropyl)-1,3-oxazole-5-carboxamide

C17H20N2O4S — CID 119046688

IUPACN-(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)-4-methyl-2-(2-methylpropyl)-1,3-oxazole-5-carboxamide
SMILESCc1nc(CC(C)C)oc1C(=O)NC1CS(=O)(=O)c2ccccc21
InChIInChI=1S/C17H20N2O4S/c1-10(2)8-15-18-11(3)16(23-15)17(20)19-13-9-24(21,22)14-7-5-4-6-12(13)14/h4-7,10,13H,8-9H2,1-3H3,(H,19,20)
InChIKeyAGDBIIGCUNEMIQ-UHFFFAOYSA-N
MW348.42 g/mol
LogP2.44
Rot. Bonds4

About N-(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)-4-methyl-2-(2-methylpropyl)-1,3-oxazole-5-carboxamide

N-(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)-4-methyl-2-(2-methylpropyl)-1,3-oxazole-5-carboxamide (PubChem CID 119046688) has the molecular formula C17H20N2O4S and a molecular weight of 348.42 g/mol. Its IUPAC name is N-(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)-4-methyl-2-(2-methylpropyl)-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)-4-methyl-2-(2-methylpropyl)-1,3-oxazole-5-carboxamide
PubChem CID119046688
Molecular FormulaC17H20N2O4S
Molecular Weight348.42 g/mol
Exact Mass348.11
IUPAC NameN-(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)-4-methyl-2-(2-methylpropyl)-1,3-oxazole-5-carboxamide
SMILESCc1nc(CC(C)C)oc1C(=O)NC1CS(=O)(=O)c2ccccc21
InChIInChI=1S/C17H20N2O4S/c1-10(2)8-15-18-11(3)16(23-15)17(20)19-13-9-24(21,22)14-7-5-4-6-12(13)14/h4-7,10,13H,8-9H2,1-3H3,(H,19,20)
InChIKeyAGDBIIGCUNEMIQ-UHFFFAOYSA-N
XLogP2.44
TPSA89.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.42
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)-4-methyl-2-(2-methylpropyl)-1,3-oxazole-5-carboxamide?
The IUPAC name of N-(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)-4-methyl-2-(2-methylpropyl)-1,3-oxazole-5-carboxamide (CID 119046688) is N-(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)-4-methyl-2-(2-methylpropyl)-1,3-oxazole-5-carboxamide.
What is the SMILES notation for N-(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)-4-methyl-2-(2-methylpropyl)-1,3-oxazole-5-carboxamide?
The canonical SMILES for N-(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)-4-methyl-2-(2-methylpropyl)-1,3-oxazole-5-carboxamide is Cc1nc(CC(C)C)oc1C(=O)NC1CS(=O)(=O)c2ccccc21.
What is the InChIKey of N-(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)-4-methyl-2-(2-methylpropyl)-1,3-oxazole-5-carboxamide?
The InChIKey is AGDBIIGCUNEMIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4S/c1-10(2)8-15-18-11(3)16(23-15)17(20)19-13-9-24(21,22)14-7-5-4-6-12(13)14/h4-7,10,13H,8-9H2,1-3H3,(H,19,20).
What are the key properties of N-(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)-4-methyl-2-(2-methylpropyl)-1,3-oxazole-5-carboxamide?
N-(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)-4-methyl-2-(2-methylpropyl)-1,3-oxazole-5-carboxamide has a molecular weight of 348.42 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)-4-methyl-2-(2-methylpropyl)-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 119046688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).