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

C15H17NO3S2 — CID 110790622

IUPACN-[2-(4-methylsulfonylphenyl)ethyl]-2-thiophen-2-ylacetamide
SMILESCS(=O)(=O)c1ccc(CCNC(=O)Cc2cccs2)cc1
InChIInChI=1S/C15H17NO3S2/c1-21(18,19)14-6-4-12(5-7-14)8-9-16-15(17)11-13-3-2-10-20-13/h2-7,10H,8-9,11H2,1H3,(H,16,17)
InChIKeyVWKMMTWXKILGGV-UHFFFAOYSA-N
MW323.44 g/mol
LogP2.05
Rot. Bonds6

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

N-[2-(4-methylsulfonylphenyl)ethyl]-2-thiophen-2-ylacetamide (PubChem CID 110790622) has the molecular formula C15H17NO3S2 and a molecular weight of 323.44 g/mol. Its IUPAC name is N-[2-(4-methylsulfonylphenyl)ethyl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[2-(4-methylsulfonylphenyl)ethyl]-2-thiophen-2-ylacetamide
PubChem CID110790622
Molecular FormulaC15H17NO3S2
Molecular Weight323.44 g/mol
Exact Mass323.06
IUPAC NameN-[2-(4-methylsulfonylphenyl)ethyl]-2-thiophen-2-ylacetamide
SMILESCS(=O)(=O)c1ccc(CCNC(=O)Cc2cccs2)cc1
InChIInChI=1S/C15H17NO3S2/c1-21(18,19)14-6-4-12(5-7-14)8-9-16-15(17)11-13-3-2-10-20-13/h2-7,10H,8-9,11H2,1H3,(H,16,17)
InChIKeyVWKMMTWXKILGGV-UHFFFAOYSA-N
XLogP2.05
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-methylsulfonylphenyl)ethyl]-3-thiophen-2-ylpropanamide
CID 110790640
N-[2-(4-piperidin-1-ylsulfonylphenyl)ethyl]-2-thiophen-2-ylacetamide
CID 30125667
2-methyl-1-[2-(4-methylsulfonylphenyl)ethyl]-3-(2-thiophen-2-ylethyl)guanidine
CID 111614585
2-thiophen-2-yl-N-[2-[(2-thiophen-2-ylacetyl)amino]ethyl]acetamide
CID 25146649
4-[4-[2-[(2-thiophen-2-ylacetyl)amino]ethyl]phenyl]sulfonyloxane-4-carboxamide
CID 142186437
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-thiophen-2-ylacetamide
CID 785974
2-methyl-1-[(4-methylsulfonylphenyl)methyl]-3-(2-thiophen-2-ylethyl)guanidine
CID 111349710
N-[2-[(2-chloroacetyl)amino]ethyl]-2-thiophen-2-ylacetamide
CID 108573266
N-[2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]-2-thiophen-2-ylacetamide
CID 110791177
N-[(3-methyl-4-methylsulfonylphenyl)methyl]-2-thiophen-2-ylacetamide
CID 71970651
N-[2-[(4-chlorophenyl)methyl-methylsulfonylamino]ethyl]-2-thiophen-2-ylacetamide
CID 113067070
N-[3-(4-propan-2-yloxyphenyl)propyl]-2-thiophen-2-ylacetamide
CID 100672361

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylsulfonylphenyl)ethyl]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[2-(4-methylsulfonylphenyl)ethyl]-2-thiophen-2-ylacetamide (CID 110790622) is N-[2-(4-methylsulfonylphenyl)ethyl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[2-(4-methylsulfonylphenyl)ethyl]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[2-(4-methylsulfonylphenyl)ethyl]-2-thiophen-2-ylacetamide is CS(=O)(=O)c1ccc(CCNC(=O)Cc2cccs2)cc1.
What is the InChIKey of N-[2-(4-methylsulfonylphenyl)ethyl]-2-thiophen-2-ylacetamide?
The InChIKey is VWKMMTWXKILGGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3S2/c1-21(18,19)14-6-4-12(5-7-14)8-9-16-15(17)11-13-3-2-10-20-13/h2-7,10H,8-9,11H2,1H3,(H,16,17).
What are the key properties of N-[2-(4-methylsulfonylphenyl)ethyl]-2-thiophen-2-ylacetamide?
N-[2-(4-methylsulfonylphenyl)ethyl]-2-thiophen-2-ylacetamide has a molecular weight of 323.44 g/mol, XLogP of 2.05, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylsulfonylphenyl)ethyl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 110790622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).