N-methyl-2-(4-methylsulfonylphenoxy)-N-(thiophen-2-ylmethyl)acetamide

C15H17NO4S2 — CID 51174659

IUPACN-methyl-2-(4-methylsulfonylphenoxy)-N-(thiophen-2-ylmethyl)acetamide
SMILESCN(Cc1cccs1)C(=O)COc1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C15H17NO4S2/c1-16(10-13-4-3-9-21-13)15(17)11-20-12-5-7-14(8-6-12)22(2,18)19/h3-9H,10-11H2,1-2H3
InChIKeyREVAGSQTXMBWJN-UHFFFAOYSA-N
MW339.44 g/mol
LogP2.19
Rot. Bonds6

About N-methyl-2-(4-methylsulfonylphenoxy)-N-(thiophen-2-ylmethyl)acetamide

N-methyl-2-(4-methylsulfonylphenoxy)-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 51174659) has the molecular formula C15H17NO4S2 and a molecular weight of 339.44 g/mol. Its IUPAC name is N-methyl-2-(4-methylsulfonylphenoxy)-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound NameN-methyl-2-(4-methylsulfonylphenoxy)-N-(thiophen-2-ylmethyl)acetamide
PubChem CID51174659
Molecular FormulaC15H17NO4S2
Molecular Weight339.44 g/mol
Exact Mass339.06
IUPAC NameN-methyl-2-(4-methylsulfonylphenoxy)-N-(thiophen-2-ylmethyl)acetamide
SMILESCN(Cc1cccs1)C(=O)COc1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C15H17NO4S2/c1-16(10-13-4-3-9-21-13)15(17)11-20-12-5-7-14(8-6-12)22(2,18)19/h3-9H,10-11H2,1-2H3
InChIKeyREVAGSQTXMBWJN-UHFFFAOYSA-N
XLogP2.19
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-ethoxyphenoxy)-N-methyl-N-(thiophen-2-ylmethyl)acetamide
CID 84601120
N-methyl-2-phenoxy-N-(thiophen-2-ylmethyl)acetamide
CID 78762396
2-(4-benzoylphenoxy)-N-methyl-N-(thiophen-2-ylmethyl)acetamide
CID 2457089
2-(3,4-dimethylphenoxy)-N-methyl-N-(thiophen-2-ylmethyl)acetamide
CID 78760305
[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl] 2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetate
CID 16530869
2-[4-(1,3-dithian-2-yl)phenoxy]-N-methyl-N-(thiophen-2-ylmethyl)acetamide
CID 55383165
N-[(2-fluorophenyl)methyl]-N-methyl-2-(4-methylsulfonylphenoxy)acetamide
CID 78814812
N-[(3,4-dichlorophenyl)methyl]-N-methyl-2-(4-methylsulfonylphenoxy)acetamide
CID 55403495
2-(2-methoxyphenoxy)-N-methyl-N-(thiophen-2-ylmethyl)acetamide
CID 78762295
(2S)-2-[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethoxy]propanoic acid
CID 104876158
[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl] 2-chloro-5-sulfamoylbenzoate
CID 31729782
4-ethoxy-N,N-bis(thiophen-2-ylmethyl)benzenesulfonamide
CID 8801727

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(4-methylsulfonylphenoxy)-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of N-methyl-2-(4-methylsulfonylphenoxy)-N-(thiophen-2-ylmethyl)acetamide (CID 51174659) is N-methyl-2-(4-methylsulfonylphenoxy)-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for N-methyl-2-(4-methylsulfonylphenoxy)-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for N-methyl-2-(4-methylsulfonylphenoxy)-N-(thiophen-2-ylmethyl)acetamide is CN(Cc1cccs1)C(=O)COc1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of N-methyl-2-(4-methylsulfonylphenoxy)-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is REVAGSQTXMBWJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO4S2/c1-16(10-13-4-3-9-21-13)15(17)11-20-12-5-7-14(8-6-12)22(2,18)19/h3-9H,10-11H2,1-2H3.
What are the key properties of N-methyl-2-(4-methylsulfonylphenoxy)-N-(thiophen-2-ylmethyl)acetamide?
N-methyl-2-(4-methylsulfonylphenoxy)-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 339.44 g/mol, XLogP of 2.19, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(4-methylsulfonylphenoxy)-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 51174659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).