5-amino-N-(2-methoxypropyl)-1-benzothiophene-2-carboxamide

C13H16N2O2S — CID 102694291

IUPAC5-amino-N-(2-methoxypropyl)-1-benzothiophene-2-carboxamide
SMILESCOC(C)CNC(=O)c1cc2cc(N)ccc2s1
InChIInChI=1S/C13H16N2O2S/c1-8(17-2)7-15-13(16)12-6-9-5-10(14)3-4-11(9)18-12/h3-6,8H,7,14H2,1-2H3,(H,15,16)
InChIKeyVTHJKMNCXPRMES-UHFFFAOYSA-N
MW264.35 g/mol
LogP2.25
Rot. Bonds4

About 5-amino-N-(2-methoxypropyl)-1-benzothiophene-2-carboxamide

5-amino-N-(2-methoxypropyl)-1-benzothiophene-2-carboxamide (PubChem CID 102694291) has the molecular formula C13H16N2O2S and a molecular weight of 264.35 g/mol. Its IUPAC name is 5-amino-N-(2-methoxypropyl)-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name5-amino-N-(2-methoxypropyl)-1-benzothiophene-2-carboxamide
PubChem CID102694291
Molecular FormulaC13H16N2O2S
Molecular Weight264.35 g/mol
Exact Mass264.09
IUPAC Name5-amino-N-(2-methoxypropyl)-1-benzothiophene-2-carboxamide
SMILESCOC(C)CNC(=O)c1cc2cc(N)ccc2s1
InChIInChI=1S/C13H16N2O2S/c1-8(17-2)7-15-13(16)12-6-9-5-10(14)3-4-11(9)18-12/h3-6,8H,7,14H2,1-2H3,(H,15,16)
InChIKeyVTHJKMNCXPRMES-UHFFFAOYSA-N
XLogP2.25
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-amino-N-(2,2-difluoroethyl)-1-benzothiophene-2-carboxamide
CID 113303500
ethyl 2-[(5-amino-1-benzothiophene-2-carbonyl)amino]acetate
CID 61102517
5-amino-N-hydroxy-1-benzothiophene-2-carboxamide;ethane
CID 143296605
N-(2,2-dimethoxyethyl)-1-benzothiophene-2-carboxamide
CID 60682166
5-amino-N-(3-hydroxy-2,2-dimethylpropyl)-1-benzothiophene-2-carboxamide
CID 115357836
5-amino-N-(2-sulfamoylethyl)-1-benzothiophene-2-carboxamide
CID 61093849
4-amino-N-(2-methoxypropyl)-2-methylbenzamide
CID 102694270
5-amino-N-(3,3,3-trifluoropropyl)-1-benzothiophene-2-carboxamide
CID 55174937
methyl 3-(1-benzothiophene-2-carbonylamino)-2-hydroxypropanoate
CID 103879191
5-amino-N-(6-hydroxyhexyl)-1-benzothiophene-2-carboxamide
CID 107843229
5-amino-N-octan-2-yl-1-benzothiophene-2-carboxamide
CID 61476113
4-amino-2-fluoro-N-(2-methoxypropyl)benzamide
CID 102694265

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(2-methoxypropyl)-1-benzothiophene-2-carboxamide?
The IUPAC name of 5-amino-N-(2-methoxypropyl)-1-benzothiophene-2-carboxamide (CID 102694291) is 5-amino-N-(2-methoxypropyl)-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 5-amino-N-(2-methoxypropyl)-1-benzothiophene-2-carboxamide?
The canonical SMILES for 5-amino-N-(2-methoxypropyl)-1-benzothiophene-2-carboxamide is COC(C)CNC(=O)c1cc2cc(N)ccc2s1.
What is the InChIKey of 5-amino-N-(2-methoxypropyl)-1-benzothiophene-2-carboxamide?
The InChIKey is VTHJKMNCXPRMES-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2S/c1-8(17-2)7-15-13(16)12-6-9-5-10(14)3-4-11(9)18-12/h3-6,8H,7,14H2,1-2H3,(H,15,16).
What are the key properties of 5-amino-N-(2-methoxypropyl)-1-benzothiophene-2-carboxamide?
5-amino-N-(2-methoxypropyl)-1-benzothiophene-2-carboxamide has a molecular weight of 264.35 g/mol, XLogP of 2.25, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(2-methoxypropyl)-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 102694291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).