N-(2-amino-1-cyclopentylethyl)-1-benzothiophene-2-carboxamide

C16H20N2OS — CID 106737595

IUPACN-(2-amino-1-cyclopentylethyl)-1-benzothiophene-2-carboxamide
SMILESNCC(NC(=O)c1cc2ccccc2s1)C1CCCC1
InChIInChI=1S/C16H20N2OS/c17-10-13(11-5-1-2-6-11)18-16(19)15-9-12-7-3-4-8-14(12)20-15/h3-4,7-9,11,13H,1-2,5-6,10,17H2,(H,18,19)
InChIKeyKDDIYQUIDPAWKR-UHFFFAOYSA-N
MW288.42 g/mol
LogP3.15
Rot. Bonds4

About N-(2-amino-1-cyclopentylethyl)-1-benzothiophene-2-carboxamide

N-(2-amino-1-cyclopentylethyl)-1-benzothiophene-2-carboxamide (PubChem CID 106737595) has the molecular formula C16H20N2OS and a molecular weight of 288.42 g/mol. Its IUPAC name is N-(2-amino-1-cyclopentylethyl)-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2-amino-1-cyclopentylethyl)-1-benzothiophene-2-carboxamide
PubChem CID106737595
Molecular FormulaC16H20N2OS
Molecular Weight288.42 g/mol
Exact Mass288.13
IUPAC NameN-(2-amino-1-cyclopentylethyl)-1-benzothiophene-2-carboxamide
SMILESNCC(NC(=O)c1cc2ccccc2s1)C1CCCC1
InChIInChI=1S/C16H20N2OS/c17-10-13(11-5-1-2-6-11)18-16(19)15-9-12-7-3-4-8-14(12)20-15/h3-4,7-9,11,13H,1-2,5-6,10,17H2,(H,18,19)
InChIKeyKDDIYQUIDPAWKR-UHFFFAOYSA-N
XLogP3.15
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-1-cyclopropylethyl)-1-benzothiophene-2-carboxamide;hydrochloride
CID 119613670
N-(2-amino-1-cyclohexylethyl)-5-nitro-1-benzothiophene-2-carboxamide
CID 119590036
N-[(2S)-1-amino-3-cyclopentyl-1-oxopropan-2-yl]-1-benzothiophene-2-carboxamide
CID 143199386
N-(2-amino-1-cyclopropylethyl)-5-nitro-1-benzothiophene-2-carboxamide
CID 119614376
N-[2-(aminomethyl)cyclohexyl]-1-benzothiophene-2-carboxamide;hydrochloride
CID 119609795
N-(2-amino-1-cyclopentylethyl)-5-ethylthiophene-2-carboxamide
CID 106737412
N-(2-amino-1-cyclopropylethyl)naphthalene-2-carboxamide
CID 65189109
N-(2-amino-1-cyclopentylethyl)-2-(trifluoromethyl)benzamide
CID 106737225
N-(2-amino-1-cyclohexylethyl)-5-(benzenesulfonyl)thiophene-2-carboxamide
CID 119589308
N-(2-amino-1-cyclohexylethyl)-2-iodobenzamide
CID 81487660
N-(2-amino-1-cyclopentylethyl)-5-nitrothiophene-2-carboxamide
CID 106737535
N-(2-amino-1-cyclohexylethyl)-5-(benzenesulfonyl)thiophene-2-carboxamide;hydrochloride
CID 119589307

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclopentylethyl)-1-benzothiophene-2-carboxamide?
The IUPAC name of N-(2-amino-1-cyclopentylethyl)-1-benzothiophene-2-carboxamide (CID 106737595) is N-(2-amino-1-cyclopentylethyl)-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-(2-amino-1-cyclopentylethyl)-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-(2-amino-1-cyclopentylethyl)-1-benzothiophene-2-carboxamide is NCC(NC(=O)c1cc2ccccc2s1)C1CCCC1.
What is the InChIKey of N-(2-amino-1-cyclopentylethyl)-1-benzothiophene-2-carboxamide?
The InChIKey is KDDIYQUIDPAWKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2OS/c17-10-13(11-5-1-2-6-11)18-16(19)15-9-12-7-3-4-8-14(12)20-15/h3-4,7-9,11,13H,1-2,5-6,10,17H2,(H,18,19).
What are the key properties of N-(2-amino-1-cyclopentylethyl)-1-benzothiophene-2-carboxamide?
N-(2-amino-1-cyclopentylethyl)-1-benzothiophene-2-carboxamide has a molecular weight of 288.42 g/mol, XLogP of 3.15, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclopentylethyl)-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 106737595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).