N-(2-aminoethyl)-1-benzothiophene-4-carboxamide

C11H12N2OS — CID 53397320

IUPACN-(2-aminoethyl)-1-benzothiophene-4-carboxamide
SMILESNCCNC(=O)c1cccc2sccc12
InChIInChI=1S/C11H12N2OS/c12-5-6-13-11(14)9-2-1-3-10-8(9)4-7-15-10/h1-4,7H,5-6,12H2,(H,13,14)
InChIKeyFKIGFZGXDSYEOD-UHFFFAOYSA-N
MW220.30 g/mol
LogP1.59
Rot. Bonds3

About N-(2-aminoethyl)-1-benzothiophene-4-carboxamide

N-(2-aminoethyl)-1-benzothiophene-4-carboxamide (PubChem CID 53397320) has the molecular formula C11H12N2OS and a molecular weight of 220.30 g/mol. Its IUPAC name is N-(2-aminoethyl)-1-benzothiophene-4-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-1-benzothiophene-4-carboxamide
PubChem CID53397320
Molecular FormulaC11H12N2OS
Molecular Weight220.30 g/mol
Exact Mass220.07
IUPAC NameN-(2-aminoethyl)-1-benzothiophene-4-carboxamide
SMILESNCCNC(=O)c1cccc2sccc12
InChIInChI=1S/C11H12N2OS/c12-5-6-13-11(14)9-2-1-3-10-8(9)4-7-15-10/h1-4,7H,5-6,12H2,(H,13,14)
InChIKeyFKIGFZGXDSYEOD-UHFFFAOYSA-N
XLogP1.59
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.30
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-N,3-N-bis(2-aminoethyl)-2-hydroxybenzene-1,3-dicarboxamide
CID 12964331
CID 89318726
CID 89318726
N-(2-aminoethyl)thiophene-2-carboxamide
CID 4649097
carbamoyl 1-benzothiophene-4-carboxylate
CID 91244894
N-[2-(2-aminoethylcarbamoyl)phenyl]-3-bromothiophene-2-carboxamide
CID 107000041
N-[(3-methylazetidin-3-yl)methyl]-1-benzothiophene-4-carboxamide;2,2,2-trifluoroacetic acid
CID 172894876
N-[2-(2-aminoethylcarbamoyl)phenyl]-3-ethylthiophene-2-carboxamide
CID 120604147
N-[2-(dimethylamino)ethyl]-1-benzothiophene-3-carboxamide
CID 13058563
1-N,3-N-bis(2-aminoethyl)benzene-1,3-dicarboxamide
CID 54754655
N-(2-methylsulfonylethyl)-1-benzothiophene-3-carboxamide
CID 60545184
1-N,2-N-bis(4-aminobutyl)benzene-1,2-dicarboxamide
CID 171064318
N-(2-aminoethyl)-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 130634637

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-1-benzothiophene-4-carboxamide?
The IUPAC name of N-(2-aminoethyl)-1-benzothiophene-4-carboxamide (CID 53397320) is N-(2-aminoethyl)-1-benzothiophene-4-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-1-benzothiophene-4-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-1-benzothiophene-4-carboxamide is NCCNC(=O)c1cccc2sccc12.
What is the InChIKey of N-(2-aminoethyl)-1-benzothiophene-4-carboxamide?
The InChIKey is FKIGFZGXDSYEOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2OS/c12-5-6-13-11(14)9-2-1-3-10-8(9)4-7-15-10/h1-4,7H,5-6,12H2,(H,13,14).
What are the key properties of N-(2-aminoethyl)-1-benzothiophene-4-carboxamide?
N-(2-aminoethyl)-1-benzothiophene-4-carboxamide has a molecular weight of 220.30 g/mol, XLogP of 1.59, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-1-benzothiophene-4-carboxamide is sourced from PubChem (CID 53397320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).