N-(2-aminoethyl)-N-benzyl-6-methyl-2,3-dihydro-1-benzothiophene-2-carboxamide;hydrochloride

C19H23ClN2OS — CID 154577004

IUPACN-(2-aminoethyl)-N-benzyl-6-methyl-2,3-dihydro-1-benzothiophene-2-carboxamide;hydrochloride
SMILESCc1ccc2c(c1)SC(C(=O)N(CCN)Cc1ccccc1)C2.Cl
InChIInChI=1S/C19H22N2OS.ClH/c1-14-7-8-16-12-18(23-17(16)11-14)19(22)21(10-9-20)13-15-5-3-2-4-6-15;/h2-8,11,18H,9-10,12-13,20H2,1H3;1H
InChIKeyHTUYRRQFQVISBI-UHFFFAOYSA-N
MW362.93 g/mol
LogP3.42
Rot. Bonds5

About N-(2-aminoethyl)-N-benzyl-6-methyl-2,3-dihydro-1-benzothiophene-2-carboxamide;hydrochloride

N-(2-aminoethyl)-N-benzyl-6-methyl-2,3-dihydro-1-benzothiophene-2-carboxamide;hydrochloride (PubChem CID 154577004) has the molecular formula C19H23ClN2OS and a molecular weight of 362.93 g/mol. Its IUPAC name is N-(2-aminoethyl)-N-benzyl-6-methyl-2,3-dihydro-1-benzothiophene-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2-aminoethyl)-N-benzyl-6-methyl-2,3-dihydro-1-benzothiophene-2-carboxamide;hydrochloride
PubChem CID154577004
Molecular FormulaC19H23ClN2OS
Molecular Weight362.93 g/mol
Exact Mass362.12
IUPAC NameN-(2-aminoethyl)-N-benzyl-6-methyl-2,3-dihydro-1-benzothiophene-2-carboxamide;hydrochloride
SMILESCc1ccc2c(c1)SC(C(=O)N(CCN)Cc1ccccc1)C2.Cl
InChIInChI=1S/C19H22N2OS.ClH/c1-14-7-8-16-12-18(23-17(16)11-14)19(22)21(10-9-20)13-15-5-3-2-4-6-15;/h2-8,11,18H,9-10,12-13,20H2,1H3;1H
InChIKeyHTUYRRQFQVISBI-UHFFFAOYSA-N
XLogP3.42
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.93
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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N-(2-aminoethyl)-N-benzyl-3-ethylthiophene-2-carboxamide
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N-(2-aminoethyl)-N-benzyl-4,5-dibromothiophene-2-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-N-benzyl-6-methyl-2,3-dihydro-1-benzothiophene-2-carboxamide;hydrochloride?
The IUPAC name of N-(2-aminoethyl)-N-benzyl-6-methyl-2,3-dihydro-1-benzothiophene-2-carboxamide;hydrochloride (CID 154577004) is N-(2-aminoethyl)-N-benzyl-6-methyl-2,3-dihydro-1-benzothiophene-2-carboxamide;hydrochloride.
What is the SMILES notation for N-(2-aminoethyl)-N-benzyl-6-methyl-2,3-dihydro-1-benzothiophene-2-carboxamide;hydrochloride?
The canonical SMILES for N-(2-aminoethyl)-N-benzyl-6-methyl-2,3-dihydro-1-benzothiophene-2-carboxamide;hydrochloride is Cc1ccc2c(c1)SC(C(=O)N(CCN)Cc1ccccc1)C2.Cl.
What is the InChIKey of N-(2-aminoethyl)-N-benzyl-6-methyl-2,3-dihydro-1-benzothiophene-2-carboxamide;hydrochloride?
The InChIKey is HTUYRRQFQVISBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2OS.ClH/c1-14-7-8-16-12-18(23-17(16)11-14)19(22)21(10-9-20)13-15-5-3-2-4-6-15;/h2-8,11,18H,9-10,12-13,20H2,1H3;1H.
What are the key properties of N-(2-aminoethyl)-N-benzyl-6-methyl-2,3-dihydro-1-benzothiophene-2-carboxamide;hydrochloride?
N-(2-aminoethyl)-N-benzyl-6-methyl-2,3-dihydro-1-benzothiophene-2-carboxamide;hydrochloride has a molecular weight of 362.93 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-N-benzyl-6-methyl-2,3-dihydro-1-benzothiophene-2-carboxamide;hydrochloride is sourced from PubChem (CID 154577004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).