N-(2-benzylsulfanylethyl)-2-(2,5-dimethylphenyl)sulfanylacetamide

C19H23NOS2 — CID 7488695

IUPACN-(2-benzylsulfanylethyl)-2-(2,5-dimethylphenyl)sulfanylacetamide
SMILESCc1ccc(C)c(SCC(=O)NCCSCc2ccccc2)c1
InChIInChI=1S/C19H23NOS2/c1-15-8-9-16(2)18(12-15)23-14-19(21)20-10-11-22-13-17-6-4-3-5-7-17/h3-9,12H,10-11,13-14H2,1-2H3,(H,20,21)
InChIKeyYMGHRGXUXOPWSJ-UHFFFAOYSA-N
MW345.53 g/mol
LogP4.45
Rot. Bonds8

About N-(2-benzylsulfanylethyl)-2-(2,5-dimethylphenyl)sulfanylacetamide

N-(2-benzylsulfanylethyl)-2-(2,5-dimethylphenyl)sulfanylacetamide (PubChem CID 7488695) has the molecular formula C19H23NOS2 and a molecular weight of 345.53 g/mol. Its IUPAC name is N-(2-benzylsulfanylethyl)-2-(2,5-dimethylphenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-(2-benzylsulfanylethyl)-2-(2,5-dimethylphenyl)sulfanylacetamide
PubChem CID7488695
Molecular FormulaC19H23NOS2
Molecular Weight345.53 g/mol
Exact Mass345.12
IUPAC NameN-(2-benzylsulfanylethyl)-2-(2,5-dimethylphenyl)sulfanylacetamide
SMILESCc1ccc(C)c(SCC(=O)NCCSCc2ccccc2)c1
InChIInChI=1S/C19H23NOS2/c1-15-8-9-16(2)18(12-15)23-14-19(21)20-10-11-22-13-17-6-4-3-5-7-17/h3-9,12H,10-11,13-14H2,1-2H3,(H,20,21)
InChIKeyYMGHRGXUXOPWSJ-UHFFFAOYSA-N
XLogP4.45
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.53
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-benzylsulfanylethyl)-2-(2,4-dimethylphenyl)sulfanylacetamide
CID 7488699
N-(2-benzylsulfanylethyl)-2-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 7886326
2-(2,5-dimethylphenyl)sulfanyl-N-phenylmethoxyacetamide
CID 32577082
N-(2-benzylsulfanylethyl)-2-(2,6-dichlorophenyl)sulfanylacetamide
CID 7489579
2-[[2-[[2-(2,5-dimethylphenyl)sulfanylacetyl]amino]acetyl]amino]acetic acid
CID 43387450
2-(2,5-dimethylphenyl)sulfanyl-N-[2-(ethylamino)ethyl]acetamide;hydrochloride
CID 119508375
2-[(4-bromophenyl)methylsulfanyl]-N-[2-[(3-methylphenyl)methylsulfanyl]ethyl]acetamide
CID 2972921
2-(5-tert-butyl-2-methylphenyl)sulfanyl-N-(2-phenylethyl)acetamide
CID 3686573
N-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]-2-(4-methylphenyl)sulfanylacetamide
CID 2284206
2-[(4-methylphenyl)methylsulfanyl]-N-(2-phenylethyl)acetamide
CID 5152285
2-(2,5-dimethylphenyl)sulfanyl-N-(2-ethylbutyl)acetamide
CID 115612499
2-(2,5-dimethylphenyl)sulfanyl-N-(2-hydroxy-2-methylpropyl)acetamide
CID 65109465

Frequently Asked Questions

What is the IUPAC name of N-(2-benzylsulfanylethyl)-2-(2,5-dimethylphenyl)sulfanylacetamide?
The IUPAC name of N-(2-benzylsulfanylethyl)-2-(2,5-dimethylphenyl)sulfanylacetamide (CID 7488695) is N-(2-benzylsulfanylethyl)-2-(2,5-dimethylphenyl)sulfanylacetamide.
What is the SMILES notation for N-(2-benzylsulfanylethyl)-2-(2,5-dimethylphenyl)sulfanylacetamide?
The canonical SMILES for N-(2-benzylsulfanylethyl)-2-(2,5-dimethylphenyl)sulfanylacetamide is Cc1ccc(C)c(SCC(=O)NCCSCc2ccccc2)c1.
What is the InChIKey of N-(2-benzylsulfanylethyl)-2-(2,5-dimethylphenyl)sulfanylacetamide?
The InChIKey is YMGHRGXUXOPWSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NOS2/c1-15-8-9-16(2)18(12-15)23-14-19(21)20-10-11-22-13-17-6-4-3-5-7-17/h3-9,12H,10-11,13-14H2,1-2H3,(H,20,21).
What are the key properties of N-(2-benzylsulfanylethyl)-2-(2,5-dimethylphenyl)sulfanylacetamide?
N-(2-benzylsulfanylethyl)-2-(2,5-dimethylphenyl)sulfanylacetamide has a molecular weight of 345.53 g/mol, XLogP of 4.45, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzylsulfanylethyl)-2-(2,5-dimethylphenyl)sulfanylacetamide is sourced from PubChem (CID 7488695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).