N-(3-aminobutyl)-1-benzothiophene-2-carboxamide

C13H16N2OS — CID 63253981

IUPACN-(3-aminobutyl)-1-benzothiophene-2-carboxamide
SMILESCC(N)CCNC(=O)c1cc2ccccc2s1
InChIInChI=1S/C13H16N2OS/c1-9(14)6-7-15-13(16)12-8-10-4-2-3-5-11(10)17-12/h2-5,8-9H,6-7,14H2,1H3,(H,15,16)
InChIKeyGRPZTPYSZKIBDU-UHFFFAOYSA-N
MW248.35 g/mol
LogP2.37
Rot. Bonds4

About N-(3-aminobutyl)-1-benzothiophene-2-carboxamide

N-(3-aminobutyl)-1-benzothiophene-2-carboxamide (PubChem CID 63253981) has the molecular formula C13H16N2OS and a molecular weight of 248.35 g/mol. Its IUPAC name is N-(3-aminobutyl)-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-(3-aminobutyl)-1-benzothiophene-2-carboxamide
PubChem CID63253981
Molecular FormulaC13H16N2OS
Molecular Weight248.35 g/mol
Exact Mass248.10
IUPAC NameN-(3-aminobutyl)-1-benzothiophene-2-carboxamide
SMILESCC(N)CCNC(=O)c1cc2ccccc2s1
InChIInChI=1S/C13H16N2OS/c1-9(14)6-7-15-13(16)12-8-10-4-2-3-5-11(10)17-12/h2-5,8-9H,6-7,14H2,1H3,(H,15,16)
InChIKeyGRPZTPYSZKIBDU-UHFFFAOYSA-N
XLogP2.37
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-amino-3-sulfanylidenepropyl)-1-benzothiophene-2-carboxamide
CID 62668366
N-[3-(methylamino)propyl]-1-benzothiophene-2-carboxamide;hydrochloride
CID 119430331
N-(3-amino-2-methyl-3-sulfanylidenepropyl)-1-benzothiophene-2-carboxamide
CID 62665755
N-[5-[4-[(2S)-2-amino-3-hydroxypropanoyl]piperazin-1-yl]-3-methyl-5-oxopentyl]-1-benzothiophene-2-carboxamide
CID 69277661
methyl 3-(1-benzothiophene-2-carbonylamino)-2-hydroxypropanoate
CID 103879191
N-(2-hydroxypentyl)-1-benzothiophene-2-carboxamide
CID 110209283
N-(2-bromo-3-ethylpentyl)-1-benzothiophene-2-carboxamide
CID 106288355
N-(3-aminobutyl)-4,5-dimethylthiophene-2-carboxamide
CID 65239032
5-(1-benzothiophene-2-carbonylamino)pentanoic acid
CID 62033392
N-(6-chlorohexyl)-1-benzothiophene-2-carboxamide
CID 107846874
N-(2,2-dimethoxyethyl)-1-benzothiophene-2-carboxamide
CID 60682166
N-(1-hydroxy-3-methylbutan-2-yl)-1-benzothiophene-2-carboxamide
CID 79252054

Frequently Asked Questions

What is the IUPAC name of N-(3-aminobutyl)-1-benzothiophene-2-carboxamide?
The IUPAC name of N-(3-aminobutyl)-1-benzothiophene-2-carboxamide (CID 63253981) is N-(3-aminobutyl)-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-(3-aminobutyl)-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-(3-aminobutyl)-1-benzothiophene-2-carboxamide is CC(N)CCNC(=O)c1cc2ccccc2s1.
What is the InChIKey of N-(3-aminobutyl)-1-benzothiophene-2-carboxamide?
The InChIKey is GRPZTPYSZKIBDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2OS/c1-9(14)6-7-15-13(16)12-8-10-4-2-3-5-11(10)17-12/h2-5,8-9H,6-7,14H2,1H3,(H,15,16).
What are the key properties of N-(3-aminobutyl)-1-benzothiophene-2-carboxamide?
N-(3-aminobutyl)-1-benzothiophene-2-carboxamide has a molecular weight of 248.35 g/mol, XLogP of 2.37, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminobutyl)-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 63253981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).