3-[4-[[3-(2-methoxyethoxy)phenyl]methyl]morpholin-2-yl]-N-methyl-1-benzothiophene-2-carboxamide

C24H28N2O4S — CID 155983033

IUPAC3-[4-[[3-(2-methoxyethoxy)phenyl]methyl]morpholin-2-yl]-N-methyl-1-benzothiophene-2-carboxamide
SMILESCNC(=O)c1sc2ccccc2c1C1CN(Cc2cccc(OCCOC)c2)CCO1
InChIInChI=1S/C24H28N2O4S/c1-25-24(27)23-22(19-8-3-4-9-21(19)31-23)20-16-26(10-11-30-20)15-17-6-5-7-18(14-17)29-13-12-28-2/h3-9,14,20H,10-13,15-16H2,1-2H3,(H,25,27)
InChIKeyLDSRUAXBHGOLSC-UHFFFAOYSA-N
MW440.57 g/mol
LogP3.86
Rot. Bonds8

About 3-[4-[[3-(2-methoxyethoxy)phenyl]methyl]morpholin-2-yl]-N-methyl-1-benzothiophene-2-carboxamide

3-[4-[[3-(2-methoxyethoxy)phenyl]methyl]morpholin-2-yl]-N-methyl-1-benzothiophene-2-carboxamide (PubChem CID 155983033) has the molecular formula C24H28N2O4S and a molecular weight of 440.57 g/mol. Its IUPAC name is 3-[4-[[3-(2-methoxyethoxy)phenyl]methyl]morpholin-2-yl]-N-methyl-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name3-[4-[[3-(2-methoxyethoxy)phenyl]methyl]morpholin-2-yl]-N-methyl-1-benzothiophene-2-carboxamide
PubChem CID155983033
Molecular FormulaC24H28N2O4S
Molecular Weight440.57 g/mol
Exact Mass440.18
IUPAC Name3-[4-[[3-(2-methoxyethoxy)phenyl]methyl]morpholin-2-yl]-N-methyl-1-benzothiophene-2-carboxamide
SMILESCNC(=O)c1sc2ccccc2c1C1CN(Cc2cccc(OCCOC)c2)CCO1
InChIInChI=1S/C24H28N2O4S/c1-25-24(27)23-22(19-8-3-4-9-21(19)31-23)20-16-26(10-11-30-20)15-17-6-5-7-18(14-17)29-13-12-28-2/h3-9,14,20H,10-13,15-16H2,1-2H3,(H,25,27)
InChIKeyLDSRUAXBHGOLSC-UHFFFAOYSA-N
XLogP3.86
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.57
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-3-[4-(quinolin-6-ylmethyl)morpholin-2-yl]-1-benzothiophene-2-carboxamide
CID 110259852
3-[(2S)-4-[(3-fluorophenyl)methyl]morpholin-2-yl]-N-propan-2-yl-1-benzothiophene-2-carboxamide
CID 92619340
N-methyl-3-[4-(quinolin-4-ylmethyl)morpholin-2-yl]-1-benzothiophene-2-carboxamide
CID 110259853
3-[4-[(7-ethyl-1-methylindol-3-yl)methyl]morpholin-2-yl]-N-methyl-1-benzothiophene-2-carboxamide
CID 110089958
N-methyl-3-[(2S)-4-[(1-methylindol-3-yl)methyl]morpholin-2-yl]-1-benzothiophene-2-carboxamide
CID 95830331
3-[(2S)-4-[(1-cyclohexylpyrazol-4-yl)methyl]morpholin-2-yl]-N-methyl-1-benzothiophene-2-carboxamide
CID 92619405
3-[(2R)-4-[(2-ethylpyrimidin-5-yl)methyl]morpholin-2-yl]-N-propan-2-yl-1-benzothiophene-2-carboxamide
CID 92619375
N-(2-methoxyethyl)-3-[4-[(2-methylpyrazol-3-yl)methyl]morpholin-2-yl]-1-benzothiophene-2-carboxamide
CID 110251329
N-methyl-3-[(2R)-4-(quinolin-6-ylmethyl)morpholin-2-yl]thieno[2,3-b]pyridine-2-carboxamide
CID 95830358
N-propan-2-yl-3-[(2S)-4-(quinolin-4-ylmethyl)morpholin-2-yl]-1-benzothiophene-2-carboxamide
CID 92618961
N-methyl-3-[(2S)-4-(2-propan-2-yloxyacetyl)morpholin-2-yl]-1-benzothiophene-2-carboxamide
CID 92619469
N-[6-[4-[[3-(2-methoxyethoxy)phenyl]methyl]morpholin-2-yl]-3-pyridinyl]pyrimidin-2-amine
CID 127249199

Frequently Asked Questions

What is the IUPAC name of 3-[4-[[3-(2-methoxyethoxy)phenyl]methyl]morpholin-2-yl]-N-methyl-1-benzothiophene-2-carboxamide?
The IUPAC name of 3-[4-[[3-(2-methoxyethoxy)phenyl]methyl]morpholin-2-yl]-N-methyl-1-benzothiophene-2-carboxamide (CID 155983033) is 3-[4-[[3-(2-methoxyethoxy)phenyl]methyl]morpholin-2-yl]-N-methyl-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 3-[4-[[3-(2-methoxyethoxy)phenyl]methyl]morpholin-2-yl]-N-methyl-1-benzothiophene-2-carboxamide?
The canonical SMILES for 3-[4-[[3-(2-methoxyethoxy)phenyl]methyl]morpholin-2-yl]-N-methyl-1-benzothiophene-2-carboxamide is CNC(=O)c1sc2ccccc2c1C1CN(Cc2cccc(OCCOC)c2)CCO1.
What is the InChIKey of 3-[4-[[3-(2-methoxyethoxy)phenyl]methyl]morpholin-2-yl]-N-methyl-1-benzothiophene-2-carboxamide?
The InChIKey is LDSRUAXBHGOLSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O4S/c1-25-24(27)23-22(19-8-3-4-9-21(19)31-23)20-16-26(10-11-30-20)15-17-6-5-7-18(14-17)29-13-12-28-2/h3-9,14,20H,10-13,15-16H2,1-2H3,(H,25,27).
What are the key properties of 3-[4-[[3-(2-methoxyethoxy)phenyl]methyl]morpholin-2-yl]-N-methyl-1-benzothiophene-2-carboxamide?
3-[4-[[3-(2-methoxyethoxy)phenyl]methyl]morpholin-2-yl]-N-methyl-1-benzothiophene-2-carboxamide has a molecular weight of 440.57 g/mol, XLogP of 3.86, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[[3-(2-methoxyethoxy)phenyl]methyl]morpholin-2-yl]-N-methyl-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 155983033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).