N-methyl-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]-2-thiophen-2-ylacetamide

C16H19NO3S2 — CID 39976465

IUPACN-methyl-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]-2-thiophen-2-ylacetamide
SMILESC[C@H](c1ccc(S(C)(=O)=O)cc1)N(C)C(=O)Cc1cccs1
InChIInChI=1S/C16H19NO3S2/c1-12(13-6-8-15(9-7-13)22(3,19)20)17(2)16(18)11-14-5-4-10-21-14/h4-10,12H,11H2,1-3H3/t12-/m1/s1
InChIKeyCPYNPLVCYAXJCA-GFCCVEGCSA-N
MW337.47 g/mol
LogP2.91
Rot. Bonds5

About N-methyl-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]-2-thiophen-2-ylacetamide

N-methyl-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]-2-thiophen-2-ylacetamide (PubChem CID 39976465) has the molecular formula C16H19NO3S2 and a molecular weight of 337.47 g/mol. Its IUPAC name is N-methyl-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-methyl-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]-2-thiophen-2-ylacetamide
PubChem CID39976465
Molecular FormulaC16H19NO3S2
Molecular Weight337.47 g/mol
Exact Mass337.08
IUPAC NameN-methyl-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]-2-thiophen-2-ylacetamide
SMILESC[C@H](c1ccc(S(C)(=O)=O)cc1)N(C)C(=O)Cc1cccs1
InChIInChI=1S/C16H19NO3S2/c1-12(13-6-8-15(9-7-13)22(3,19)20)17(2)16(18)11-14-5-4-10-21-14/h4-10,12H,11H2,1-3H3/t12-/m1/s1
InChIKeyCPYNPLVCYAXJCA-GFCCVEGCSA-N
XLogP2.91
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.47
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-methyl-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]-2-thiophen-2-ylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]-2-thiophen-2-ylacetamide
CID 42945980
N-methyl-N-[(1S)-1-(3-sulfamoylphenyl)ethyl]-2-thiophen-2-ylacetamide
CID 95342586
N-[1-(3,4-difluorophenyl)ethyl]-N-methyl-2-thiophen-2-ylacetamide
CID 134026968
N-methyl-2-[4-(2-methylpropyl)phenyl]-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide
CID 55551706
N-[1-(2-hydroxyphenyl)ethyl]-N-methyl-2-thiophen-2-ylacetamide
CID 54913397
2-(4-methoxyphenyl)-N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide
CID 75870188
2-(3-fluorophenyl)-N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide
CID 42945810
N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]hexanamide
CID 75870203
N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]-3-phenoxypropanamide
CID 75870195
1-(4-methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)ethanamine
CID 43182189
N-methyl-4-methylsulfonyl-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide
CID 42945819
N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide
CID 75870184

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]-2-thiophen-2-ylacetamide?
The IUPAC name of N-methyl-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]-2-thiophen-2-ylacetamide (CID 39976465) is N-methyl-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-methyl-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-methyl-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]-2-thiophen-2-ylacetamide is C[C@H](c1ccc(S(C)(=O)=O)cc1)N(C)C(=O)Cc1cccs1.
What is the InChIKey of N-methyl-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]-2-thiophen-2-ylacetamide?
The InChIKey is CPYNPLVCYAXJCA-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H19NO3S2/c1-12(13-6-8-15(9-7-13)22(3,19)20)17(2)16(18)11-14-5-4-10-21-14/h4-10,12H,11H2,1-3H3/t12-/m1/s1.
What are the key properties of N-methyl-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]-2-thiophen-2-ylacetamide?
N-methyl-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]-2-thiophen-2-ylacetamide has a molecular weight of 337.47 g/mol, XLogP of 2.91, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 39976465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).