5-amino-N-(cyclobutylmethyl)-N-methyl-1-benzothiophene-2-carboxamide

C15H18N2OS — CID 62860747

IUPAC5-amino-N-(cyclobutylmethyl)-N-methyl-1-benzothiophene-2-carboxamide
SMILESCN(CC1CCC1)C(=O)c1cc2cc(N)ccc2s1
InChIInChI=1S/C15H18N2OS/c1-17(9-10-3-2-4-10)15(18)14-8-11-7-12(16)5-6-13(11)19-14/h5-8,10H,2-4,9,16H2,1H3
InChIKeyNOZBXALCYPGXCX-UHFFFAOYSA-N
MW274.39 g/mol
LogP3.36
Rot. Bonds3

About 5-amino-N-(cyclobutylmethyl)-N-methyl-1-benzothiophene-2-carboxamide

5-amino-N-(cyclobutylmethyl)-N-methyl-1-benzothiophene-2-carboxamide (PubChem CID 62860747) has the molecular formula C15H18N2OS and a molecular weight of 274.39 g/mol. Its IUPAC name is 5-amino-N-(cyclobutylmethyl)-N-methyl-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name5-amino-N-(cyclobutylmethyl)-N-methyl-1-benzothiophene-2-carboxamide
PubChem CID62860747
Molecular FormulaC15H18N2OS
Molecular Weight274.39 g/mol
Exact Mass274.11
IUPAC Name5-amino-N-(cyclobutylmethyl)-N-methyl-1-benzothiophene-2-carboxamide
SMILESCN(CC1CCC1)C(=O)c1cc2cc(N)ccc2s1
InChIInChI=1S/C15H18N2OS/c1-17(9-10-3-2-4-10)15(18)14-8-11-7-12(16)5-6-13(11)19-14/h5-8,10H,2-4,9,16H2,1H3
InChIKeyNOZBXALCYPGXCX-UHFFFAOYSA-N
XLogP3.36
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-amino-N-(cyclopropylmethyl)-N-ethyl-1-benzothiophene-2-carboxamide
CID 63954077
5-amino-N-(2-cyclopentylethyl)-1-benzothiophene-2-carboxamide
CID 61102153
5-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-1-benzothiophene-2-carboxamide
CID 62977734
2,4-diamino-N-(cyclopentylmethyl)-N-methylbenzamide
CID 63632253
5-amino-N-(cyclopentylmethyl)-N,2-dimethylbenzamide
CID 63632081
4-amino-N-(cyclohexylmethyl)-N,5-dimethylthiophene-2-carboxamide
CID 61109172
(4-ethylcyclohexyl) 5-amino-1-benzothiophene-2-carboxylate
CID 64776497
2-amino-N-(cyclobutylmethyl)-5-hydroxy-N-methylbenzamide
CID 107075183
(5-amino-1-benzothiophen-2-yl)-[3-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 64571213
5-amino-N-methyl-N-[(2-methylfuran-3-yl)methyl]-1-benzothiophene-2-carboxamide
CID 61426704
(5-amino-1-benzothiophen-2-yl)-(3,4-dihydroxypyrrolidin-1-yl)methanone
CID 106666929
5-amino-N-(cyclopropylmethyl)-N,2-dimethylbenzamide;hydrochloride
CID 120624156

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(cyclobutylmethyl)-N-methyl-1-benzothiophene-2-carboxamide?
The IUPAC name of 5-amino-N-(cyclobutylmethyl)-N-methyl-1-benzothiophene-2-carboxamide (CID 62860747) is 5-amino-N-(cyclobutylmethyl)-N-methyl-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 5-amino-N-(cyclobutylmethyl)-N-methyl-1-benzothiophene-2-carboxamide?
The canonical SMILES for 5-amino-N-(cyclobutylmethyl)-N-methyl-1-benzothiophene-2-carboxamide is CN(CC1CCC1)C(=O)c1cc2cc(N)ccc2s1.
What is the InChIKey of 5-amino-N-(cyclobutylmethyl)-N-methyl-1-benzothiophene-2-carboxamide?
The InChIKey is NOZBXALCYPGXCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2OS/c1-17(9-10-3-2-4-10)15(18)14-8-11-7-12(16)5-6-13(11)19-14/h5-8,10H,2-4,9,16H2,1H3.
What are the key properties of 5-amino-N-(cyclobutylmethyl)-N-methyl-1-benzothiophene-2-carboxamide?
5-amino-N-(cyclobutylmethyl)-N-methyl-1-benzothiophene-2-carboxamide has a molecular weight of 274.39 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(cyclobutylmethyl)-N-methyl-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 62860747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).