2-methyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide

C20H24N2O4S — CID 43042508

IUPAC2-methyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
SMILESCC1Oc2ccccc2OC1C(=O)NCC(c1cccs1)N1CCOCC1
InChIInChI=1S/C20H24N2O4S/c1-14-19(26-17-6-3-2-5-16(17)25-14)20(23)21-13-15(18-7-4-12-27-18)22-8-10-24-11-9-22/h2-7,12,14-15,19H,8-11,13H2,1H3,(H,21,23)
InChIKeyIMDUUSFBFLADCY-UHFFFAOYSA-N
MW388.49 g/mol
LogP2.47
Rot. Bonds5

About 2-methyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide

2-methyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide (PubChem CID 43042508) has the molecular formula C20H24N2O4S and a molecular weight of 388.49 g/mol. Its IUPAC name is 2-methyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
PubChem CID43042508
Molecular FormulaC20H24N2O4S
Molecular Weight388.49 g/mol
Exact Mass388.15
IUPAC Name2-methyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
SMILESCC1Oc2ccccc2OC1C(=O)NCC(c1cccs1)N1CCOCC1
InChIInChI=1S/C20H24N2O4S/c1-14-19(26-17-6-3-2-5-16(17)25-14)20(23)21-13-15(18-7-4-12-27-18)22-8-10-24-11-9-22/h2-7,12,14-15,19H,8-11,13H2,1H3,(H,21,23)
InChIKeyIMDUUSFBFLADCY-UHFFFAOYSA-N
XLogP2.47
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2S,4S)-2-methyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)piperidine-4-carboxamide
CID 120631423
(3S)-N-[(2R)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 30523490
2-(dimethylamino)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide
CID 167860438
2-methyl-N-(2-thiophen-2-ylethyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 46697570
(3R)-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]-1,1-dioxothiolane-3-carboxamide
CID 30468496
2,6-dimethoxy-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide
CID 16831434
1-amino-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)cyclopropane-1-carboxamide
CID 65464082
N-[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]prop-2-enamide
CID 7713761
N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]pyrrolidine-1-carboxamide
CID 94494130
N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)piperidine-3-carboxamide
CID 119829137
(1R)-N-[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 39982815
(2S)-N-[(2S)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 39987122

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
The IUPAC name of 2-methyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide (CID 43042508) is 2-methyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide.
What is the SMILES notation for 2-methyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
The canonical SMILES for 2-methyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide is CC1Oc2ccccc2OC1C(=O)NCC(c1cccs1)N1CCOCC1.
What is the InChIKey of 2-methyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
The InChIKey is IMDUUSFBFLADCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4S/c1-14-19(26-17-6-3-2-5-16(17)25-14)20(23)21-13-15(18-7-4-12-27-18)22-8-10-24-11-9-22/h2-7,12,14-15,19H,8-11,13H2,1H3,(H,21,23).
What are the key properties of 2-methyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
2-methyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide has a molecular weight of 388.49 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide is sourced from PubChem (CID 43042508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).