N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(5-methylthiophen-2-yl)methyl]morpholine-2-carboxamide;hydrochloride

C19H23ClN2O4S — CID 119730265

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(5-methylthiophen-2-yl)methyl]morpholine-2-carboxamide;hydrochloride
SMILESCc1ccc(CN(C(=O)C2CNCCO2)c2ccc3c(c2)OCCO3)s1.Cl
InChIInChI=1S/C19H22N2O4S.ClH/c1-13-2-4-15(26-13)12-21(19(22)18-11-20-6-7-23-18)14-3-5-16-17(10-14)25-9-8-24-16;/h2-5,10,18,20H,6-9,11-12H2,1H3;1H
InChIKeyXHSJNVAZMXBGOI-UHFFFAOYSA-N
MW410.92 g/mol
LogP2.77
Rot. Bonds4

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(5-methylthiophen-2-yl)methyl]morpholine-2-carboxamide;hydrochloride

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(5-methylthiophen-2-yl)methyl]morpholine-2-carboxamide;hydrochloride (PubChem CID 119730265) has the molecular formula C19H23ClN2O4S and a molecular weight of 410.92 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(5-methylthiophen-2-yl)methyl]morpholine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(5-methylthiophen-2-yl)methyl]morpholine-2-carboxamide;hydrochloride
PubChem CID119730265
Molecular FormulaC19H23ClN2O4S
Molecular Weight410.92 g/mol
Exact Mass410.11
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(5-methylthiophen-2-yl)methyl]morpholine-2-carboxamide;hydrochloride
SMILESCc1ccc(CN(C(=O)C2CNCCO2)c2ccc3c(c2)OCCO3)s1.Cl
InChIInChI=1S/C19H22N2O4S.ClH/c1-13-2-4-15(26-13)12-21(19(22)18-11-20-6-7-23-18)14-3-5-16-17(10-14)25-9-8-24-16;/h2-5,10,18,20H,6-9,11-12H2,1H3;1H
InChIKeyXHSJNVAZMXBGOI-UHFFFAOYSA-N
XLogP2.77
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.92
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(5-methylthiophen-2-yl)methyl]morpholine-2-carboxamide;hydrochloride?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(5-methylthiophen-2-yl)methyl]morpholine-2-carboxamide;hydrochloride (CID 119730265) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(5-methylthiophen-2-yl)methyl]morpholine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(5-methylthiophen-2-yl)methyl]morpholine-2-carboxamide;hydrochloride?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(5-methylthiophen-2-yl)methyl]morpholine-2-carboxamide;hydrochloride is Cc1ccc(CN(C(=O)C2CNCCO2)c2ccc3c(c2)OCCO3)s1.Cl.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(5-methylthiophen-2-yl)methyl]morpholine-2-carboxamide;hydrochloride?
The InChIKey is XHSJNVAZMXBGOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4S.ClH/c1-13-2-4-15(26-13)12-21(19(22)18-11-20-6-7-23-18)14-3-5-16-17(10-14)25-9-8-24-16;/h2-5,10,18,20H,6-9,11-12H2,1H3;1H.
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(5-methylthiophen-2-yl)methyl]morpholine-2-carboxamide;hydrochloride?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(5-methylthiophen-2-yl)methyl]morpholine-2-carboxamide;hydrochloride has a molecular weight of 410.92 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(5-methylthiophen-2-yl)methyl]morpholine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119730265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).