N-[2-(2-methoxyethylamino)ethyl]-2,3-dihydro-1-benzothiophene-3-carboxamide

C14H20N2O2S — CID 82994159

IUPACN-[2-(2-methoxyethylamino)ethyl]-2,3-dihydro-1-benzothiophene-3-carboxamide
SMILESCOCCNCCNC(=O)C1CSc2ccccc21
InChIInChI=1S/C14H20N2O2S/c1-18-9-8-15-6-7-16-14(17)12-10-19-13-5-3-2-4-11(12)13/h2-5,12,15H,6-10H2,1H3,(H,16,17)
InChIKeyHHSLAKYCUPRXOE-UHFFFAOYSA-N
MW280.39 g/mol
LogP1.23
Rot. Bonds7

About N-[2-(2-methoxyethylamino)ethyl]-2,3-dihydro-1-benzothiophene-3-carboxamide

N-[2-(2-methoxyethylamino)ethyl]-2,3-dihydro-1-benzothiophene-3-carboxamide (PubChem CID 82994159) has the molecular formula C14H20N2O2S and a molecular weight of 280.39 g/mol. Its IUPAC name is N-[2-(2-methoxyethylamino)ethyl]-2,3-dihydro-1-benzothiophene-3-carboxamide.

Molecular Properties

Compound NameN-[2-(2-methoxyethylamino)ethyl]-2,3-dihydro-1-benzothiophene-3-carboxamide
PubChem CID82994159
Molecular FormulaC14H20N2O2S
Molecular Weight280.39 g/mol
Exact Mass280.12
IUPAC NameN-[2-(2-methoxyethylamino)ethyl]-2,3-dihydro-1-benzothiophene-3-carboxamide
SMILESCOCCNCCNC(=O)C1CSc2ccccc21
InChIInChI=1S/C14H20N2O2S/c1-18-9-8-15-6-7-16-14(17)12-10-19-13-5-3-2-4-11(12)13/h2-5,12,15H,6-10H2,1H3,(H,16,17)
InChIKeyHHSLAKYCUPRXOE-UHFFFAOYSA-N
XLogP1.23
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-morpholin-4-ylethyl)-2-phenyl-2-phenylthioacetamide
CID 3843296
N-[2-(2-methoxyethylamino)ethyl]-1-benzothiophene-3-carboxamide
CID 82994604
N-(2-aminoethyl)-5-fluoro-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 70840534
(3S)-1-[(3S)-2,3-dihydro-1-benzothiophene-3-carbonyl]piperidine-3-carboxamide
CID 172908557
N-[1-(2,2,2-trifluoroethoxy)propan-2-yl]-2,3-dihydro-1-benzothiophene-3-carboxamide
CID 72009869
(3R)-N-[(2S)-1-(2,2,2-trifluoroethoxy)propan-2-yl]-2,3-dihydro-1-benzothiophene-3-carboxamide
CID 97563109
(3R)-N-[(2R)-1-(2,2,2-trifluoroethoxy)propan-2-yl]-2,3-dihydro-1-benzothiophene-3-carboxamide
CID 97563110
(3S)-N-[(2S)-1-(2,2,2-trifluoroethoxy)propan-2-yl]-2,3-dihydro-1-benzothiophene-3-carboxamide
CID 97563111
(3S)-N-[(2R)-1-(2,2,2-trifluoroethoxy)propan-2-yl]-2,3-dihydro-1-benzothiophene-3-carboxamide
CID 97563112
N-(3,3,3-trifluoro-2-hydroxypropyl)-2,3-dihydro-1-benzothiophene-3-carboxamide
CID 103726468
N-(2,2-difluoro-3-hydroxypropyl)-2,3-dihydro-1-benzothiophene-3-carboxamide
CID 104857690
2-(4-fluorophenyl)-N-(2-methoxyethyl)-3-thiophen-2-ylpropanamide
CID 110296240

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyethylamino)ethyl]-2,3-dihydro-1-benzothiophene-3-carboxamide?
The IUPAC name of N-[2-(2-methoxyethylamino)ethyl]-2,3-dihydro-1-benzothiophene-3-carboxamide (CID 82994159) is N-[2-(2-methoxyethylamino)ethyl]-2,3-dihydro-1-benzothiophene-3-carboxamide.
What is the SMILES notation for N-[2-(2-methoxyethylamino)ethyl]-2,3-dihydro-1-benzothiophene-3-carboxamide?
The canonical SMILES for N-[2-(2-methoxyethylamino)ethyl]-2,3-dihydro-1-benzothiophene-3-carboxamide is COCCNCCNC(=O)C1CSc2ccccc21.
What is the InChIKey of N-[2-(2-methoxyethylamino)ethyl]-2,3-dihydro-1-benzothiophene-3-carboxamide?
The InChIKey is HHSLAKYCUPRXOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2S/c1-18-9-8-15-6-7-16-14(17)12-10-19-13-5-3-2-4-11(12)13/h2-5,12,15H,6-10H2,1H3,(H,16,17).
What are the key properties of N-[2-(2-methoxyethylamino)ethyl]-2,3-dihydro-1-benzothiophene-3-carboxamide?
N-[2-(2-methoxyethylamino)ethyl]-2,3-dihydro-1-benzothiophene-3-carboxamide has a molecular weight of 280.39 g/mol, XLogP of 1.23, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyethylamino)ethyl]-2,3-dihydro-1-benzothiophene-3-carboxamide is sourced from PubChem (CID 82994159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).