N-(2-piperazin-1-ylethyl)-2,3-dihydro-1-benzothiophene-2-carboxamide

C15H21N3OS — CID 79217959

IUPACN-(2-piperazin-1-ylethyl)-2,3-dihydro-1-benzothiophene-2-carboxamide
SMILESO=C(NCCN1CCNCC1)C1Cc2ccccc2S1
InChIInChI=1S/C15H21N3OS/c19-15(17-7-10-18-8-5-16-6-9-18)14-11-12-3-1-2-4-13(12)20-14/h1-4,14,16H,5-11H2,(H,17,19)
InChIKeyYQEFWIGHDHYFMC-UHFFFAOYSA-N
MW291.42 g/mol
LogP0.72
Rot. Bonds4

About N-(2-piperazin-1-ylethyl)-2,3-dihydro-1-benzothiophene-2-carboxamide

N-(2-piperazin-1-ylethyl)-2,3-dihydro-1-benzothiophene-2-carboxamide (PubChem CID 79217959) has the molecular formula C15H21N3OS and a molecular weight of 291.42 g/mol. Its IUPAC name is N-(2-piperazin-1-ylethyl)-2,3-dihydro-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2-piperazin-1-ylethyl)-2,3-dihydro-1-benzothiophene-2-carboxamide
PubChem CID79217959
Molecular FormulaC15H21N3OS
Molecular Weight291.42 g/mol
Exact Mass291.14
IUPAC NameN-(2-piperazin-1-ylethyl)-2,3-dihydro-1-benzothiophene-2-carboxamide
SMILESO=C(NCCN1CCNCC1)C1Cc2ccccc2S1
InChIInChI=1S/C15H21N3OS/c19-15(17-7-10-18-8-5-16-6-9-18)14-11-12-3-1-2-4-13(12)20-14/h1-4,14,16H,5-11H2,(H,17,19)
InChIKeyYQEFWIGHDHYFMC-UHFFFAOYSA-N
XLogP0.72
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 95322137
N-propyl-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 42931099
N-(2-aminoethyl)-2,3-dihydro-1-benzothiophene-2-carboxamide;hydrochloride
CID 119383954
N-[3-(methylamino)propyl]-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 79217188
N-(4-aminobutyl)-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 79214512
N-(2-pyrrolidin-1-ylsulfonylethyl)-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 77086366
N-(2-piperazin-1-ylethyl)-2,3-dihydro-1-benzofuran-2-carboxamide;hydrochloride
CID 119447753
N-(3-methoxypropyl)-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 51309548
N-(2-benzylsulfinylethyl)-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 146121654
2-(2-methyl-2,3-dihydroindole-1-carbonyl)-N-(2-piperazin-1-ylethyl)cyclohexane-1-carboxamide
CID 119447503
N-(2-aminopropyl)-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 79217051
N-[2-(3-chlorophenyl)ethyl]-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 18136802

Frequently Asked Questions

What is the IUPAC name of N-(2-piperazin-1-ylethyl)-2,3-dihydro-1-benzothiophene-2-carboxamide?
The IUPAC name of N-(2-piperazin-1-ylethyl)-2,3-dihydro-1-benzothiophene-2-carboxamide (CID 79217959) is N-(2-piperazin-1-ylethyl)-2,3-dihydro-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-(2-piperazin-1-ylethyl)-2,3-dihydro-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-(2-piperazin-1-ylethyl)-2,3-dihydro-1-benzothiophene-2-carboxamide is O=C(NCCN1CCNCC1)C1Cc2ccccc2S1.
What is the InChIKey of N-(2-piperazin-1-ylethyl)-2,3-dihydro-1-benzothiophene-2-carboxamide?
The InChIKey is YQEFWIGHDHYFMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3OS/c19-15(17-7-10-18-8-5-16-6-9-18)14-11-12-3-1-2-4-13(12)20-14/h1-4,14,16H,5-11H2,(H,17,19).
What are the key properties of N-(2-piperazin-1-ylethyl)-2,3-dihydro-1-benzothiophene-2-carboxamide?
N-(2-piperazin-1-ylethyl)-2,3-dihydro-1-benzothiophene-2-carboxamide has a molecular weight of 291.42 g/mol, XLogP of 0.72, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-piperazin-1-ylethyl)-2,3-dihydro-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 79217959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).