2-amino-N-(1,1-dioxo-2,3-dihydro-1-benzothiophen-6-yl)-2-(oxan-4-yl)acetamide;hydrochloride

C15H21ClN2O4S — CID 120795315

IUPAC2-amino-N-(1,1-dioxo-2,3-dihydro-1-benzothiophen-6-yl)-2-(oxan-4-yl)acetamide;hydrochloride
SMILESCl.NC(C(=O)Nc1ccc2c(c1)S(=O)(=O)CC2)C1CCOCC1
InChIInChI=1S/C15H20N2O4S.ClH/c16-14(11-3-6-21-7-4-11)15(18)17-12-2-1-10-5-8-22(19,20)13(10)9-12;/h1-2,9,11,14H,3-8,16H2,(H,17,18);1H
InChIKeyCQZRNKLZBLSPEC-UHFFFAOYSA-N
MW360.86 g/mol
LogP1.13
Rot. Bonds3

About 2-amino-N-(1,1-dioxo-2,3-dihydro-1-benzothiophen-6-yl)-2-(oxan-4-yl)acetamide;hydrochloride

2-amino-N-(1,1-dioxo-2,3-dihydro-1-benzothiophen-6-yl)-2-(oxan-4-yl)acetamide;hydrochloride (PubChem CID 120795315) has the molecular formula C15H21ClN2O4S and a molecular weight of 360.86 g/mol. Its IUPAC name is 2-amino-N-(1,1-dioxo-2,3-dihydro-1-benzothiophen-6-yl)-2-(oxan-4-yl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-(1,1-dioxo-2,3-dihydro-1-benzothiophen-6-yl)-2-(oxan-4-yl)acetamide;hydrochloride
PubChem CID120795315
Molecular FormulaC15H21ClN2O4S
Molecular Weight360.86 g/mol
Exact Mass360.09
IUPAC Name2-amino-N-(1,1-dioxo-2,3-dihydro-1-benzothiophen-6-yl)-2-(oxan-4-yl)acetamide;hydrochloride
SMILESCl.NC(C(=O)Nc1ccc2c(c1)S(=O)(=O)CC2)C1CCOCC1
InChIInChI=1S/C15H20N2O4S.ClH/c16-14(11-3-6-21-7-4-11)15(18)17-12-2-1-10-5-8-22(19,20)13(10)9-12;/h1-2,9,11,14H,3-8,16H2,(H,17,18);1H
InChIKeyCQZRNKLZBLSPEC-UHFFFAOYSA-N
XLogP1.13
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.86
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-amino-N-(1,1-dioxo-2,3-dihydro-1-benzothiophen-6-yl)-2-(oxan-4-yl)acetamide;hydrochloride with MolForge

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Related Compounds

2-amino-N-(2,3-dihydro-1-benzofuran-5-yl)-2-(oxan-4-yl)acetamide;hydrochloride
CID 120787891
2-amino-N-(1,1-dioxo-2,3-dihydro-1-benzothiophen-6-yl)-3-methylpentanamide;hydrochloride
CID 119808177
2-amino-N-(3,4-difluorophenyl)-2-(oxan-4-yl)acetamide
CID 120782962
N-(3-acetamidophenyl)-2-amino-2-(oxan-4-yl)acetamide;hydrochloride
CID 120782773
2-amino-N-(3-iodo-4-methylphenyl)-2-(oxan-4-yl)acetamide
CID 120783594
2-amino-N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-(oxan-4-yl)acetamide;hydrochloride
CID 120784707
N-(5-acetamido-2-chlorophenyl)-2-amino-2-(oxan-4-yl)acetamide;hydrochloride
CID 120785959
N-(3-acetamido-4-fluorophenyl)-2-amino-2-(oxan-4-yl)acetamide;hydrochloride
CID 120785529
2-amino-N-(4-methyl-3-sulfamoylphenyl)-2-(oxan-4-yl)acetamide;hydrochloride
CID 120784349
2-amino-N-(3-methylphenyl)-2-(oxan-4-yl)acetamide
CID 120782660
2-amino-N-(3-chlorophenyl)-2-(oxan-4-yl)acetamide
CID 120782718
2-amino-2-(oxan-4-yl)-N-[4-(propan-2-ylcarbamoylamino)phenyl]acetamide;hydrochloride
CID 120785655

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(1,1-dioxo-2,3-dihydro-1-benzothiophen-6-yl)-2-(oxan-4-yl)acetamide;hydrochloride?
The IUPAC name of 2-amino-N-(1,1-dioxo-2,3-dihydro-1-benzothiophen-6-yl)-2-(oxan-4-yl)acetamide;hydrochloride (CID 120795315) is 2-amino-N-(1,1-dioxo-2,3-dihydro-1-benzothiophen-6-yl)-2-(oxan-4-yl)acetamide;hydrochloride.
What is the SMILES notation for 2-amino-N-(1,1-dioxo-2,3-dihydro-1-benzothiophen-6-yl)-2-(oxan-4-yl)acetamide;hydrochloride?
The canonical SMILES for 2-amino-N-(1,1-dioxo-2,3-dihydro-1-benzothiophen-6-yl)-2-(oxan-4-yl)acetamide;hydrochloride is Cl.NC(C(=O)Nc1ccc2c(c1)S(=O)(=O)CC2)C1CCOCC1.
What is the InChIKey of 2-amino-N-(1,1-dioxo-2,3-dihydro-1-benzothiophen-6-yl)-2-(oxan-4-yl)acetamide;hydrochloride?
The InChIKey is CQZRNKLZBLSPEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4S.ClH/c16-14(11-3-6-21-7-4-11)15(18)17-12-2-1-10-5-8-22(19,20)13(10)9-12;/h1-2,9,11,14H,3-8,16H2,(H,17,18);1H.
What are the key properties of 2-amino-N-(1,1-dioxo-2,3-dihydro-1-benzothiophen-6-yl)-2-(oxan-4-yl)acetamide;hydrochloride?
2-amino-N-(1,1-dioxo-2,3-dihydro-1-benzothiophen-6-yl)-2-(oxan-4-yl)acetamide;hydrochloride has a molecular weight of 360.86 g/mol, XLogP of 1.13, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(1,1-dioxo-2,3-dihydro-1-benzothiophen-6-yl)-2-(oxan-4-yl)acetamide;hydrochloride is sourced from PubChem (CID 120795315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).