N-methyl-N-(thiophen-2-ylmethyl)-2-[[4-(trifluoromethoxy)phenyl]methylsulfanyl]acetamide

C16H16F3NO2S2 — CID 78845854

IUPACN-methyl-N-(thiophen-2-ylmethyl)-2-[[4-(trifluoromethoxy)phenyl]methylsulfanyl]acetamide
SMILESCN(Cc1cccs1)C(=O)CSCc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C16H16F3NO2S2/c1-20(9-14-3-2-8-24-14)15(21)11-23-10-12-4-6-13(7-5-12)22-16(17,18)19/h2-8H,9-11H2,1H3
InChIKeyNGXIHXQXRWWLGW-UHFFFAOYSA-N
MW375.44 g/mol
LogP4.54
Rot. Bonds7

About N-methyl-N-(thiophen-2-ylmethyl)-2-[[4-(trifluoromethoxy)phenyl]methylsulfanyl]acetamide

N-methyl-N-(thiophen-2-ylmethyl)-2-[[4-(trifluoromethoxy)phenyl]methylsulfanyl]acetamide (PubChem CID 78845854) has the molecular formula C16H16F3NO2S2 and a molecular weight of 375.44 g/mol. Its IUPAC name is N-methyl-N-(thiophen-2-ylmethyl)-2-[[4-(trifluoromethoxy)phenyl]methylsulfanyl]acetamide.

Molecular Properties

Compound NameN-methyl-N-(thiophen-2-ylmethyl)-2-[[4-(trifluoromethoxy)phenyl]methylsulfanyl]acetamide
PubChem CID78845854
Molecular FormulaC16H16F3NO2S2
Molecular Weight375.44 g/mol
Exact Mass375.06
IUPAC NameN-methyl-N-(thiophen-2-ylmethyl)-2-[[4-(trifluoromethoxy)phenyl]methylsulfanyl]acetamide
SMILESCN(Cc1cccs1)C(=O)CSCc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C16H16F3NO2S2/c1-20(9-14-3-2-8-24-14)15(21)11-23-10-12-4-6-13(7-5-12)22-16(17,18)19/h2-8H,9-11H2,1H3
InChIKeyNGXIHXQXRWWLGW-UHFFFAOYSA-N
XLogP4.54
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.44
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-2-thiophen-2-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]acetamide
CID 52570534
2-[(2,6-dichlorophenyl)methylsulfanyl]-N-methyl-N-(thiophen-2-ylmethyl)acetamide
CID 134058104
2-(4-methoxyphenyl)sulfanyl-N-methyl-N-(thiophen-2-ylmethyl)acetamide
CID 78791495
N-[2-[methyl-[[4-(trifluoromethoxy)phenyl]methyl]amino]-2-oxoethyl]thiophene-2-carboxamide
CID 134003801
N-(thiophen-2-ylmethyl)-2-[4-(trifluoromethoxy)phenyl]acetamide
CID 46482581
[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl] 2-[4-(difluoromethoxy)phenyl]acetate
CID 55386348
2-(4-ethoxyphenoxy)-N-methyl-N-(thiophen-2-ylmethyl)acetamide
CID 84601120
N-methyl-2-[2-(2-methylphenoxy)ethylsulfanyl]-N-(thiophen-2-ylmethyl)acetamide
CID 78786654
N-methyl-3-thiophen-2-yl-N-(thiophen-2-ylmethyl)propanamide
CID 110733634
N-[(4-methoxyphenyl)methyl]-N-methyl-2-[(4-methylphenyl)methylsulfanyl]acetamide
CID 50874829
phenyl N-methyl-N-(thiophen-2-ylmethyl)carbamate
CID 60631092
[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl] 4-(trifluoromethylsulfanyl)benzoate
CID 55424840

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(thiophen-2-ylmethyl)-2-[[4-(trifluoromethoxy)phenyl]methylsulfanyl]acetamide?
The IUPAC name of N-methyl-N-(thiophen-2-ylmethyl)-2-[[4-(trifluoromethoxy)phenyl]methylsulfanyl]acetamide (CID 78845854) is N-methyl-N-(thiophen-2-ylmethyl)-2-[[4-(trifluoromethoxy)phenyl]methylsulfanyl]acetamide.
What is the SMILES notation for N-methyl-N-(thiophen-2-ylmethyl)-2-[[4-(trifluoromethoxy)phenyl]methylsulfanyl]acetamide?
The canonical SMILES for N-methyl-N-(thiophen-2-ylmethyl)-2-[[4-(trifluoromethoxy)phenyl]methylsulfanyl]acetamide is CN(Cc1cccs1)C(=O)CSCc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of N-methyl-N-(thiophen-2-ylmethyl)-2-[[4-(trifluoromethoxy)phenyl]methylsulfanyl]acetamide?
The InChIKey is NGXIHXQXRWWLGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3NO2S2/c1-20(9-14-3-2-8-24-14)15(21)11-23-10-12-4-6-13(7-5-12)22-16(17,18)19/h2-8H,9-11H2,1H3.
What are the key properties of N-methyl-N-(thiophen-2-ylmethyl)-2-[[4-(trifluoromethoxy)phenyl]methylsulfanyl]acetamide?
N-methyl-N-(thiophen-2-ylmethyl)-2-[[4-(trifluoromethoxy)phenyl]methylsulfanyl]acetamide has a molecular weight of 375.44 g/mol, XLogP of 4.54, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(thiophen-2-ylmethyl)-2-[[4-(trifluoromethoxy)phenyl]methylsulfanyl]acetamide is sourced from PubChem (CID 78845854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).