5-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-1-benzothiophene-2-carboxamide

C15H19N3OS — CID 62977734

IUPAC5-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-1-benzothiophene-2-carboxamide
SMILESCN(CCNC(=O)c1cc2cc(N)ccc2s1)C1CC1
InChIInChI=1S/C15H19N3OS/c1-18(12-3-4-12)7-6-17-15(19)14-9-10-8-11(16)2-5-13(10)20-14/h2,5,8-9,12H,3-4,6-7,16H2,1H3,(H,17,19)
InChIKeyNXAPQGOMZCBBEX-UHFFFAOYSA-N
MW289.40 g/mol
LogP2.31
Rot. Bonds5

About 5-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-1-benzothiophene-2-carboxamide

5-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-1-benzothiophene-2-carboxamide (PubChem CID 62977734) has the molecular formula C15H19N3OS and a molecular weight of 289.40 g/mol. Its IUPAC name is 5-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name5-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-1-benzothiophene-2-carboxamide
PubChem CID62977734
Molecular FormulaC15H19N3OS
Molecular Weight289.40 g/mol
Exact Mass289.12
IUPAC Name5-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-1-benzothiophene-2-carboxamide
SMILESCN(CCNC(=O)c1cc2cc(N)ccc2s1)C1CC1
InChIInChI=1S/C15H19N3OS/c1-18(12-3-4-12)7-6-17-15(19)14-9-10-8-11(16)2-5-13(10)20-14/h2,5,8-9,12H,3-4,6-7,16H2,1H3,(H,17,19)
InChIKeyNXAPQGOMZCBBEX-UHFFFAOYSA-N
XLogP2.31
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 52.31
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-cyclopentylethyl)-1-benzothiophene-2-carboxamide
CID 61102153
5-amino-N-(2-sulfamoylethyl)-1-benzothiophene-2-carboxamide
CID 61093849
5-amino-N-(6-hydroxyhexyl)-1-benzothiophene-2-carboxamide
CID 107843229
5-amino-N-(3,3,3-trifluoropropyl)-1-benzothiophene-2-carboxamide
CID 55174937
5-amino-N-(cyclobutylmethyl)-N-methyl-1-benzothiophene-2-carboxamide
CID 62860747
N-[2-[cyclohexyl(methyl)amino]ethyl]-5-cyclopropylthieno[2,3-c]pyrrole-2-carboxamide
CID 53191585
5-amino-N-hydroxy-1-benzothiophene-2-carboxamide;ethane
CID 143296605
5-amino-N-(thiolan-3-ylmethyl)-1-benzothiophene-2-carboxamide
CID 107294726
5-amino-N-(3-methylcyclobutyl)-1-benzothiophene-2-carboxamide
CID 113467054
5-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-2-methoxybenzamide
CID 62975328
5-amino-N-(2,2-difluoroethyl)-1-benzothiophene-2-carboxamide
CID 113303500
5-amino-N-(3-hydroxy-2,2-dimethylpropyl)-1-benzothiophene-2-carboxamide
CID 115357836

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-1-benzothiophene-2-carboxamide?
The IUPAC name of 5-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-1-benzothiophene-2-carboxamide (CID 62977734) is 5-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 5-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-1-benzothiophene-2-carboxamide?
The canonical SMILES for 5-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-1-benzothiophene-2-carboxamide is CN(CCNC(=O)c1cc2cc(N)ccc2s1)C1CC1.
What is the InChIKey of 5-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-1-benzothiophene-2-carboxamide?
The InChIKey is NXAPQGOMZCBBEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3OS/c1-18(12-3-4-12)7-6-17-15(19)14-9-10-8-11(16)2-5-13(10)20-14/h2,5,8-9,12H,3-4,6-7,16H2,1H3,(H,17,19).
What are the key properties of 5-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-1-benzothiophene-2-carboxamide?
5-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-1-benzothiophene-2-carboxamide has a molecular weight of 289.40 g/mol, XLogP of 2.31, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 62977734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).