N-methyl-2-[2-(2-methylphenoxy)ethylsulfanyl]-N-(thiophen-2-ylmethyl)acetamide

C17H21NO2S2 — CID 78786654

IUPACN-methyl-2-[2-(2-methylphenoxy)ethylsulfanyl]-N-(thiophen-2-ylmethyl)acetamide
SMILESCc1ccccc1OCCSCC(=O)N(C)Cc1cccs1
InChIInChI=1S/C17H21NO2S2/c1-14-6-3-4-8-16(14)20-9-11-21-13-17(19)18(2)12-15-7-5-10-22-15/h3-8,10H,9,11-13H2,1-2H3
InChIKeyAQNODWOGQCCBSX-UHFFFAOYSA-N
MW335.49 g/mol
LogP3.83
Rot. Bonds8

About N-methyl-2-[2-(2-methylphenoxy)ethylsulfanyl]-N-(thiophen-2-ylmethyl)acetamide

N-methyl-2-[2-(2-methylphenoxy)ethylsulfanyl]-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 78786654) has the molecular formula C17H21NO2S2 and a molecular weight of 335.49 g/mol. Its IUPAC name is N-methyl-2-[2-(2-methylphenoxy)ethylsulfanyl]-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound NameN-methyl-2-[2-(2-methylphenoxy)ethylsulfanyl]-N-(thiophen-2-ylmethyl)acetamide
PubChem CID78786654
Molecular FormulaC17H21NO2S2
Molecular Weight335.49 g/mol
Exact Mass335.10
IUPAC NameN-methyl-2-[2-(2-methylphenoxy)ethylsulfanyl]-N-(thiophen-2-ylmethyl)acetamide
SMILESCc1ccccc1OCCSCC(=O)N(C)Cc1cccs1
InChIInChI=1S/C17H21NO2S2/c1-14-6-3-4-8-16(14)20-9-11-21-13-17(19)18(2)12-15-7-5-10-22-15/h3-8,10H,9,11-13H2,1-2H3
InChIKeyAQNODWOGQCCBSX-UHFFFAOYSA-N
XLogP3.83
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.49
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-methoxyphenoxy)-N-methyl-N-(thiophen-2-ylmethyl)acetamide
CID 78762295
2-[(2,6-dichlorophenyl)methylsulfanyl]-N-methyl-N-(thiophen-2-ylmethyl)acetamide
CID 134058104
N-methyl-2-pyridin-2-ylsulfanyl-N-(thiophen-2-ylmethyl)acetamide
CID 25342931
N-methyl-2-phenoxy-N-(thiophen-2-ylmethyl)acetamide
CID 78762396
2-(2-acetamidophenoxy)-N-methyl-N-(thiophen-2-ylmethyl)acetamide
CID 8001547
2-(3-amino-2-methylphenyl)sulfanyl-N-methyl-N-(thiophen-2-ylmethyl)acetamide
CID 79143453
N-methyl-3-thiophen-2-yl-N-(thiophen-2-ylmethyl)propanamide
CID 110733634
2-(3,4-dimethylphenoxy)-N-methyl-N-(thiophen-2-ylmethyl)acetamide
CID 78760305
2-(4-methoxyphenyl)sulfanyl-N-methyl-N-(thiophen-2-ylmethyl)acetamide
CID 78791495
phenyl N-methyl-N-(thiophen-2-ylmethyl)carbamate
CID 60631092
N-methyl-N-(thiophen-2-ylmethyl)-2-[[4-(trifluoromethoxy)phenyl]methylsulfanyl]acetamide
CID 78845854
2-(2-aminophenyl)-N-methyl-N-(thiophen-2-ylmethyl)acetamide
CID 43527191

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[2-(2-methylphenoxy)ethylsulfanyl]-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of N-methyl-2-[2-(2-methylphenoxy)ethylsulfanyl]-N-(thiophen-2-ylmethyl)acetamide (CID 78786654) is N-methyl-2-[2-(2-methylphenoxy)ethylsulfanyl]-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for N-methyl-2-[2-(2-methylphenoxy)ethylsulfanyl]-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for N-methyl-2-[2-(2-methylphenoxy)ethylsulfanyl]-N-(thiophen-2-ylmethyl)acetamide is Cc1ccccc1OCCSCC(=O)N(C)Cc1cccs1.
What is the InChIKey of N-methyl-2-[2-(2-methylphenoxy)ethylsulfanyl]-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is AQNODWOGQCCBSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2S2/c1-14-6-3-4-8-16(14)20-9-11-21-13-17(19)18(2)12-15-7-5-10-22-15/h3-8,10H,9,11-13H2,1-2H3.
What are the key properties of N-methyl-2-[2-(2-methylphenoxy)ethylsulfanyl]-N-(thiophen-2-ylmethyl)acetamide?
N-methyl-2-[2-(2-methylphenoxy)ethylsulfanyl]-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 335.49 g/mol, XLogP of 3.83, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[2-(2-methylphenoxy)ethylsulfanyl]-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 78786654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).