N-[2-(1-benzothiophen-3-yl)ethyl]-2-(2-methylphenyl)sulfanylacetamide

C19H19NOS2 — CID 112836932

IUPACN-[2-(1-benzothiophen-3-yl)ethyl]-2-(2-methylphenyl)sulfanylacetamide
SMILESCc1ccccc1SCC(=O)NCCc1csc2ccccc12
InChIInChI=1S/C19H19NOS2/c1-14-6-2-4-8-17(14)23-13-19(21)20-11-10-15-12-22-18-9-5-3-7-16(15)18/h2-9,12H,10-11,13H2,1H3,(H,20,21)
InChIKeyIKXQZBPQPGYZNW-UHFFFAOYSA-N
MW341.50 g/mol
LogP4.66
Rot. Bonds6

About N-[2-(1-benzothiophen-3-yl)ethyl]-2-(2-methylphenyl)sulfanylacetamide

N-[2-(1-benzothiophen-3-yl)ethyl]-2-(2-methylphenyl)sulfanylacetamide (PubChem CID 112836932) has the molecular formula C19H19NOS2 and a molecular weight of 341.50 g/mol. Its IUPAC name is N-[2-(1-benzothiophen-3-yl)ethyl]-2-(2-methylphenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-[2-(1-benzothiophen-3-yl)ethyl]-2-(2-methylphenyl)sulfanylacetamide
PubChem CID112836932
Molecular FormulaC19H19NOS2
Molecular Weight341.50 g/mol
Exact Mass341.09
IUPAC NameN-[2-(1-benzothiophen-3-yl)ethyl]-2-(2-methylphenyl)sulfanylacetamide
SMILESCc1ccccc1SCC(=O)NCCc1csc2ccccc12
InChIInChI=1S/C19H19NOS2/c1-14-6-2-4-8-17(14)23-13-19(21)20-11-10-15-12-22-18-9-5-3-7-16(15)18/h2-9,12H,10-11,13H2,1H3,(H,20,21)
InChIKeyIKXQZBPQPGYZNW-UHFFFAOYSA-N
XLogP4.66
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.50
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(1-benzothiophen-3-yl)ethyl]-3-hydroxypropanamide
CID 115139367
N-[2-(1-benzothiophen-3-yl)ethyl]-3-(4-methylphenyl)propanamide
CID 112837044
N-[(2-methylphenyl)methyl]-2-(2-methylphenyl)sulfanylacetamide
CID 9104654
methyl 2-[2-(1-benzothiophen-3-yl)ethylamino]-2-oxoacetate
CID 115142581
N-[2-(1-benzothiophen-3-yl)ethyl]-2-[[4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 87005663
3-[2-(1-benzothiophen-3-yl)ethyl]-1-[(2R)-2-cyclopropyl-2-hydroxyethyl]-1-methylurea
CID 97061097
N-[2-(1-benzothiophen-3-yl)ethyl]-1-cyanoformamide
CID 115172576
N-[3-(methylamino)propyl]-2-(2-methylphenyl)sulfanylacetamide;hydrochloride
CID 119430704
N-[2-(1-benzothiophen-3-yl)ethyl]-2-(2-phenylethoxy)acetamide
CID 86871998
N-[2-(1-benzothiophen-3-yl)ethyl]-2-methyl-2-phenylpropanamide
CID 112836983
1-(1-benzothiophen-3-yl)-3-(2-methylphenyl)sulfanylpropan-2-amine
CID 66097364
6-[[2-(2-methylphenyl)sulfanylacetyl]amino]hexanoic acid
CID 43091712

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-benzothiophen-3-yl)ethyl]-2-(2-methylphenyl)sulfanylacetamide?
The IUPAC name of N-[2-(1-benzothiophen-3-yl)ethyl]-2-(2-methylphenyl)sulfanylacetamide (CID 112836932) is N-[2-(1-benzothiophen-3-yl)ethyl]-2-(2-methylphenyl)sulfanylacetamide.
What is the SMILES notation for N-[2-(1-benzothiophen-3-yl)ethyl]-2-(2-methylphenyl)sulfanylacetamide?
The canonical SMILES for N-[2-(1-benzothiophen-3-yl)ethyl]-2-(2-methylphenyl)sulfanylacetamide is Cc1ccccc1SCC(=O)NCCc1csc2ccccc12.
What is the InChIKey of N-[2-(1-benzothiophen-3-yl)ethyl]-2-(2-methylphenyl)sulfanylacetamide?
The InChIKey is IKXQZBPQPGYZNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NOS2/c1-14-6-2-4-8-17(14)23-13-19(21)20-11-10-15-12-22-18-9-5-3-7-16(15)18/h2-9,12H,10-11,13H2,1H3,(H,20,21).
What are the key properties of N-[2-(1-benzothiophen-3-yl)ethyl]-2-(2-methylphenyl)sulfanylacetamide?
N-[2-(1-benzothiophen-3-yl)ethyl]-2-(2-methylphenyl)sulfanylacetamide has a molecular weight of 341.50 g/mol, XLogP of 4.66, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-benzothiophen-3-yl)ethyl]-2-(2-methylphenyl)sulfanylacetamide is sourced from PubChem (CID 112836932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).