2-(2,3-dihydro-1-benzothiophen-3-ylamino)-N-(2-methoxyethyl)acetamide

C13H18N2O2S — CID 113259968

IUPAC2-(2,3-dihydro-1-benzothiophen-3-ylamino)-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)CNC1CSc2ccccc21
InChIInChI=1S/C13H18N2O2S/c1-17-7-6-14-13(16)8-15-11-9-18-12-5-3-2-4-10(11)12/h2-5,11,15H,6-9H2,1H3,(H,14,16)
InChIKeyVFJJHIIXFCQPRP-UHFFFAOYSA-N
MW266.37 g/mol
LogP1.19
Rot. Bonds6

About 2-(2,3-dihydro-1-benzothiophen-3-ylamino)-N-(2-methoxyethyl)acetamide

2-(2,3-dihydro-1-benzothiophen-3-ylamino)-N-(2-methoxyethyl)acetamide (PubChem CID 113259968) has the molecular formula C13H18N2O2S and a molecular weight of 266.37 g/mol. Its IUPAC name is 2-(2,3-dihydro-1-benzothiophen-3-ylamino)-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2-(2,3-dihydro-1-benzothiophen-3-ylamino)-N-(2-methoxyethyl)acetamide
PubChem CID113259968
Molecular FormulaC13H18N2O2S
Molecular Weight266.37 g/mol
Exact Mass266.11
IUPAC Name2-(2,3-dihydro-1-benzothiophen-3-ylamino)-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)CNC1CSc2ccccc21
InChIInChI=1S/C13H18N2O2S/c1-17-7-6-14-13(16)8-15-11-9-18-12-5-3-2-4-10(11)12/h2-5,11,15H,6-9H2,1H3,(H,14,16)
InChIKeyVFJJHIIXFCQPRP-UHFFFAOYSA-N
XLogP1.19
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 51.19
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

3-(3,4-dihydro-2H-thiochromen-4-ylamino)-N-(2-methoxyethyl)propanamide
CID 115711938
N-[3-(2-methoxyethoxy)propyl]-2,3-dihydro-1-benzothiophen-3-amine
CID 81300282
2-(2,3-dihydro-1-benzothiophen-3-ylamino)ethanol
CID 81302336
N-(cyclopropylmethyl)-2-(2,3,4,5-tetrahydro-1-benzothiepin-5-ylamino)acetamide
CID 75483868
2-(3,4-dihydro-2H-chromen-4-ylamino)-N-(3-methoxypropyl)acetamide
CID 60693734
N-(2-methoxyethyl)-3-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)propanamide
CID 115712000
N-(4-methoxybutan-2-yl)-2,3-dihydro-1-benzothiophen-3-amine
CID 81333010
3-(2,3-dihydro-1-benzothiophen-3-ylamino)-1-pyrrolidin-1-ylpropan-1-one
CID 81300721
N-(2-methoxyethyl)-2-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]acetamide
CID 115708011
2-[(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)amino]-N-(2-methoxyethyl)acetamide
CID 112552936
N-[3-(2-methylpropoxy)propyl]-2,3-dihydro-1-benzothiophen-3-amine
CID 81301169
N-[2-(2-methoxyethylamino)-2-oxoethyl]-9H-xanthene-9-carboxamide
CID 9246931

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1-benzothiophen-3-ylamino)-N-(2-methoxyethyl)acetamide?
The IUPAC name of 2-(2,3-dihydro-1-benzothiophen-3-ylamino)-N-(2-methoxyethyl)acetamide (CID 113259968) is 2-(2,3-dihydro-1-benzothiophen-3-ylamino)-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for 2-(2,3-dihydro-1-benzothiophen-3-ylamino)-N-(2-methoxyethyl)acetamide?
The canonical SMILES for 2-(2,3-dihydro-1-benzothiophen-3-ylamino)-N-(2-methoxyethyl)acetamide is COCCNC(=O)CNC1CSc2ccccc21.
What is the InChIKey of 2-(2,3-dihydro-1-benzothiophen-3-ylamino)-N-(2-methoxyethyl)acetamide?
The InChIKey is VFJJHIIXFCQPRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2S/c1-17-7-6-14-13(16)8-15-11-9-18-12-5-3-2-4-10(11)12/h2-5,11,15H,6-9H2,1H3,(H,14,16).
What are the key properties of 2-(2,3-dihydro-1-benzothiophen-3-ylamino)-N-(2-methoxyethyl)acetamide?
2-(2,3-dihydro-1-benzothiophen-3-ylamino)-N-(2-methoxyethyl)acetamide has a molecular weight of 266.37 g/mol, XLogP of 1.19, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1-benzothiophen-3-ylamino)-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 113259968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).