N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-morpholin-4-ium-4-yl-N-(thiophen-2-ylmethyl)acetamide

C19H23N2O4S+ — CID 8009424

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-morpholin-4-ium-4-yl-N-(thiophen-2-ylmethyl)acetamide
SMILESO=C(C[NH+]1CCOCC1)N(Cc1cccs1)c1ccc2c(c1)OCCO2
InChIInChI=1S/C19H22N2O4S/c22-19(14-20-5-7-23-8-6-20)21(13-16-2-1-11-26-16)15-3-4-17-18(12-15)25-10-9-24-17/h1-4,11-12H,5-10,13-14H2/p+1
InChIKeyCQTMMWAFXGIXLS-UHFFFAOYSA-O
MW375.47 g/mol
LogP0.97
Rot. Bonds5

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-morpholin-4-ium-4-yl-N-(thiophen-2-ylmethyl)acetamide

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-morpholin-4-ium-4-yl-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 8009424) has the molecular formula C19H23N2O4S+ and a molecular weight of 375.47 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-morpholin-4-ium-4-yl-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-morpholin-4-ium-4-yl-N-(thiophen-2-ylmethyl)acetamide
PubChem CID8009424
Molecular FormulaC19H23N2O4S+
Molecular Weight375.47 g/mol
Exact Mass375.14
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-morpholin-4-ium-4-yl-N-(thiophen-2-ylmethyl)acetamide
SMILESO=C(C[NH+]1CCOCC1)N(Cc1cccs1)c1ccc2c(c1)OCCO2
InChIInChI=1S/C19H22N2O4S/c22-19(14-20-5-7-23-8-6-20)21(13-16-2-1-11-26-16)15-3-4-17-18(12-15)25-10-9-24-17/h1-4,11-12H,5-10,13-14H2/p+1
InChIKeyCQTMMWAFXGIXLS-UHFFFAOYSA-O
XLogP0.97
TPSA52.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-thiophen-2-yl-N-(thiophen-2-ylmethyl)acetamide
CID 39708928
2-benzylsulfanyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 27995034
2-amino-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(thiophen-2-ylmethyl)butanamide
CID 75429808
(3S)-3-acetamido-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-thiophen-2-yl-N-(thiophen-2-ylmethyl)propanamide
CID 29492949
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(tetrazol-1-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 17430300
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(9-oxoacridin-10-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 30019003
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3-methyl-2-oxobenzimidazol-1-yl)-N-(thiophen-2-ylmethyl)propanamide
CID 30781467
2-(4-cyanophenoxy)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 9268063
2-[(3aR,7aR)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 51656563
2-(3-chloroanilino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 25498931
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 18138005
2-(3-cyanophenoxy)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 9457328

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-morpholin-4-ium-4-yl-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-morpholin-4-ium-4-yl-N-(thiophen-2-ylmethyl)acetamide (CID 8009424) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-morpholin-4-ium-4-yl-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-morpholin-4-ium-4-yl-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-morpholin-4-ium-4-yl-N-(thiophen-2-ylmethyl)acetamide is O=C(C[NH+]1CCOCC1)N(Cc1cccs1)c1ccc2c(c1)OCCO2.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-morpholin-4-ium-4-yl-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is CQTMMWAFXGIXLS-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H22N2O4S/c22-19(14-20-5-7-23-8-6-20)21(13-16-2-1-11-26-16)15-3-4-17-18(12-15)25-10-9-24-17/h1-4,11-12H,5-10,13-14H2/p+1.
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-morpholin-4-ium-4-yl-N-(thiophen-2-ylmethyl)acetamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-morpholin-4-ium-4-yl-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 375.47 g/mol, XLogP of 0.97, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-morpholin-4-ium-4-yl-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 8009424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).