N-[2-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-2,3-dihydro-1-benzothiophene-2-carboxamide

C16H19N3O2S — CID 86938358

IUPACN-[2-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-2,3-dihydro-1-benzothiophene-2-carboxamide
SMILESCc1noc(C(NC(=O)C2Cc3ccccc3S2)C(C)C)n1
InChIInChI=1S/C16H19N3O2S/c1-9(2)14(16-17-10(3)19-21-16)18-15(20)13-8-11-6-4-5-7-12(11)22-13/h4-7,9,13-14H,8H2,1-3H3,(H,18,20)
InChIKeyKUAGWIFPGPQQLY-UHFFFAOYSA-N
MW317.41 g/mol
LogP2.91
Rot. Bonds4

About N-[2-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-2,3-dihydro-1-benzothiophene-2-carboxamide

N-[2-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-2,3-dihydro-1-benzothiophene-2-carboxamide (PubChem CID 86938358) has the molecular formula C16H19N3O2S and a molecular weight of 317.41 g/mol. Its IUPAC name is N-[2-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-2,3-dihydro-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-2,3-dihydro-1-benzothiophene-2-carboxamide
PubChem CID86938358
Molecular FormulaC16H19N3O2S
Molecular Weight317.41 g/mol
Exact Mass317.12
IUPAC NameN-[2-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-2,3-dihydro-1-benzothiophene-2-carboxamide
SMILESCc1noc(C(NC(=O)C2Cc3ccccc3S2)C(C)C)n1
InChIInChI=1S/C16H19N3O2S/c1-9(2)14(16-17-10(3)19-21-16)18-15(20)13-8-11-6-4-5-7-12(11)22-13/h4-7,9,13-14H,8H2,1-3H3,(H,18,20)
InChIKeyKUAGWIFPGPQQLY-UHFFFAOYSA-N
XLogP2.91
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-2,3-dihydro-1-benzothiophene-2-carboxamide with MolForge

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Related Compounds

2-(2,3-dihydro-1-benzothiophene-2-carbonylamino)-3-methylbutanoic acid
CID 43354086
methyl 2-(2,3-dihydro-1-benzothiophene-2-carbonylamino)propanoate
CID 60712541
2-(2,3-dihydro-1-benzothiophene-2-carbonylamino)-3-hydroxybutanoic acid
CID 43170318
N-methyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 72923499
2-(2,3-dihydro-1-benzothiophene-2-carbonylamino)-3-methylpentanoic acid
CID 43171234
N-(3-methyl-1-phenylbutyl)-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 18138361
N-(1-chloro-4,4-dimethylpentan-3-yl)-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 106355848
N-(2-aminopropyl)-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 79217051
methyl 2-(2,3-dihydro-1-benzothiophene-2-carbonylamino)-3-hydroxypropanoate
CID 43409716
N-[(1R)-2-hydroxy-1-phenylethyl]-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 103772752
N-[4-(2-methylpropanoylamino)phenyl]-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 51313014
N-(3-bromo-2-methylpropyl)-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 114313238

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-2,3-dihydro-1-benzothiophene-2-carboxamide?
The IUPAC name of N-[2-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-2,3-dihydro-1-benzothiophene-2-carboxamide (CID 86938358) is N-[2-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-2,3-dihydro-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-[2-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-2,3-dihydro-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-[2-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-2,3-dihydro-1-benzothiophene-2-carboxamide is Cc1noc(C(NC(=O)C2Cc3ccccc3S2)C(C)C)n1.
What is the InChIKey of N-[2-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-2,3-dihydro-1-benzothiophene-2-carboxamide?
The InChIKey is KUAGWIFPGPQQLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2S/c1-9(2)14(16-17-10(3)19-21-16)18-15(20)13-8-11-6-4-5-7-12(11)22-13/h4-7,9,13-14H,8H2,1-3H3,(H,18,20).
What are the key properties of N-[2-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-2,3-dihydro-1-benzothiophene-2-carboxamide?
N-[2-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-2,3-dihydro-1-benzothiophene-2-carboxamide has a molecular weight of 317.41 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-2,3-dihydro-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 86938358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).