N-[4-(2,6-dimethylmorpholin-4-yl)butyl]-2,3-dihydro-1-benzothiophene-3-carboxamide

C19H28N2O2S — CID 71973244

IUPACN-[4-(2,6-dimethylmorpholin-4-yl)butyl]-2,3-dihydro-1-benzothiophene-3-carboxamide
SMILESCC1CN(CCCCNC(=O)C2CSc3ccccc32)CC(C)O1
InChIInChI=1S/C19H28N2O2S/c1-14-11-21(12-15(2)23-14)10-6-5-9-20-19(22)17-13-24-18-8-4-3-7-16(17)18/h3-4,7-8,14-15,17H,5-6,9-13H2,1-2H3,(H,20,22)
InChIKeyCQYLRDKBAXXDPX-UHFFFAOYSA-N
MW348.51 g/mol
LogP2.88
Rot. Bonds6

About N-[4-(2,6-dimethylmorpholin-4-yl)butyl]-2,3-dihydro-1-benzothiophene-3-carboxamide

N-[4-(2,6-dimethylmorpholin-4-yl)butyl]-2,3-dihydro-1-benzothiophene-3-carboxamide (PubChem CID 71973244) has the molecular formula C19H28N2O2S and a molecular weight of 348.51 g/mol. Its IUPAC name is N-[4-(2,6-dimethylmorpholin-4-yl)butyl]-2,3-dihydro-1-benzothiophene-3-carboxamide.

Molecular Properties

Compound NameN-[4-(2,6-dimethylmorpholin-4-yl)butyl]-2,3-dihydro-1-benzothiophene-3-carboxamide
PubChem CID71973244
Molecular FormulaC19H28N2O2S
Molecular Weight348.51 g/mol
Exact Mass348.19
IUPAC NameN-[4-(2,6-dimethylmorpholin-4-yl)butyl]-2,3-dihydro-1-benzothiophene-3-carboxamide
SMILESCC1CN(CCCCNC(=O)C2CSc3ccccc32)CC(C)O1
InChIInChI=1S/C19H28N2O2S/c1-14-11-21(12-15(2)23-14)10-6-5-9-20-19(22)17-13-24-18-8-4-3-7-16(17)18/h3-4,7-8,14-15,17H,5-6,9-13H2,1-2H3,(H,20,22)
InChIKeyCQYLRDKBAXXDPX-UHFFFAOYSA-N
XLogP2.88
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.51
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(4-morpholinyl)propyl]-2-phenyl-2-(phenylthio)acetamide
CID 2862865
2,6-Dimethyl-4-[phenyl(phenylthio)acetyl]morpholine
CID 2904745
1-Morpholin-4-yl-2-phenyl-3-(thiophen-3-ylmethylamino)propan-1-one
CID 72022523
N-(2-morpholin-4-ylethyl)-2-phenyl-2-phenylthioacetamide
CID 3843296
6-methyl-N-(oxolan-2-ylmethyl)-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 42886116
1-Morpholin-4-yl-2-phenyl-3-(thiophen-2-ylmethylamino)propan-1-one
CID 72022527
(5aR,9aR)-8-[2-(1-benzothiophen-3-yl)acetyl]-2,3,4,5a,6,7,9,9a-octahydropyrido[4,3-f][1,4]oxazepin-5-one
CID 97419309
N-[2-(2-methoxyethylamino)ethyl]-2,3-dihydro-1-benzothiophene-3-carboxamide
CID 82994159
N-(oxolan-2-ylmethyl)-2-phenyl-2-phenylsulfanylacetamide
CID 2886245
(2S)-4-[2-(2-methylsulfanylphenyl)acetyl]morpholine-2-carboxamide
CID 172908543
(3S)-1-[(3S)-2,3-dihydro-1-benzothiophene-3-carbonyl]piperidine-3-carboxamide
CID 172908557
(3S)-1-[2-(2,3-dihydro-1-benzothiophen-7-yl)acetyl]piperidine-3-carboxamide
CID 172908619

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,6-dimethylmorpholin-4-yl)butyl]-2,3-dihydro-1-benzothiophene-3-carboxamide?
The IUPAC name of N-[4-(2,6-dimethylmorpholin-4-yl)butyl]-2,3-dihydro-1-benzothiophene-3-carboxamide (CID 71973244) is N-[4-(2,6-dimethylmorpholin-4-yl)butyl]-2,3-dihydro-1-benzothiophene-3-carboxamide.
What is the SMILES notation for N-[4-(2,6-dimethylmorpholin-4-yl)butyl]-2,3-dihydro-1-benzothiophene-3-carboxamide?
The canonical SMILES for N-[4-(2,6-dimethylmorpholin-4-yl)butyl]-2,3-dihydro-1-benzothiophene-3-carboxamide is CC1CN(CCCCNC(=O)C2CSc3ccccc32)CC(C)O1.
What is the InChIKey of N-[4-(2,6-dimethylmorpholin-4-yl)butyl]-2,3-dihydro-1-benzothiophene-3-carboxamide?
The InChIKey is CQYLRDKBAXXDPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O2S/c1-14-11-21(12-15(2)23-14)10-6-5-9-20-19(22)17-13-24-18-8-4-3-7-16(17)18/h3-4,7-8,14-15,17H,5-6,9-13H2,1-2H3,(H,20,22).
What are the key properties of N-[4-(2,6-dimethylmorpholin-4-yl)butyl]-2,3-dihydro-1-benzothiophene-3-carboxamide?
N-[4-(2,6-dimethylmorpholin-4-yl)butyl]-2,3-dihydro-1-benzothiophene-3-carboxamide has a molecular weight of 348.51 g/mol, XLogP of 2.88, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,6-dimethylmorpholin-4-yl)butyl]-2,3-dihydro-1-benzothiophene-3-carboxamide is sourced from PubChem (CID 71973244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).