N-[(3-methyl-4-methylsulfonylphenyl)methyl]-2-thiophen-2-ylacetamide

C15H17NO3S2 — CID 71970651

IUPACN-[(3-methyl-4-methylsulfonylphenyl)methyl]-2-thiophen-2-ylacetamide
SMILESCc1cc(CNC(=O)Cc2cccs2)ccc1S(C)(=O)=O
InChIInChI=1S/C15H17NO3S2/c1-11-8-12(5-6-14(11)21(2,18)19)10-16-15(17)9-13-4-3-7-20-13/h3-8H,9-10H2,1-2H3,(H,16,17)
InChIKeyHKSQXKRXVYLOSF-UHFFFAOYSA-N
MW323.44 g/mol
LogP2.32
Rot. Bonds5

About N-[(3-methyl-4-methylsulfonylphenyl)methyl]-2-thiophen-2-ylacetamide

N-[(3-methyl-4-methylsulfonylphenyl)methyl]-2-thiophen-2-ylacetamide (PubChem CID 71970651) has the molecular formula C15H17NO3S2 and a molecular weight of 323.44 g/mol. Its IUPAC name is N-[(3-methyl-4-methylsulfonylphenyl)methyl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[(3-methyl-4-methylsulfonylphenyl)methyl]-2-thiophen-2-ylacetamide
PubChem CID71970651
Molecular FormulaC15H17NO3S2
Molecular Weight323.44 g/mol
Exact Mass323.06
IUPAC NameN-[(3-methyl-4-methylsulfonylphenyl)methyl]-2-thiophen-2-ylacetamide
SMILESCc1cc(CNC(=O)Cc2cccs2)ccc1S(C)(=O)=O
InChIInChI=1S/C15H17NO3S2/c1-11-8-12(5-6-14(11)21(2,18)19)10-16-15(17)9-13-4-3-7-20-13/h3-8H,9-10H2,1-2H3,(H,16,17)
InChIKeyHKSQXKRXVYLOSF-UHFFFAOYSA-N
XLogP2.32
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-methoxy-3-methylphenyl)methyl]-2-thiophen-2-ylacetamide
CID 110779769
2-(3,4-dimethylphenyl)-N-(thiophen-2-ylmethyl)acetamide
CID 2675121
N-[2-[(2,4-dimethylphenyl)sulfonylamino]ethyl]-2-thiophen-2-ylacetamide
CID 108573230
2-thiophen-2-yl-N-(thiophen-2-ylmethyl)acetamide
CID 1245174
N-[(1,2-dimethylindol-5-yl)methyl]-2-thiophen-2-ylacetamide
CID 5080692
N-[2-(4-methylsulfonylphenyl)ethyl]-2-thiophen-2-ylacetamide
CID 110790622
N-[(3,5-dichlorophenyl)methyl]-2-thiophen-2-ylacetamide
CID 2801025
N-[[4-(2-aminoethyl)phenyl]methyl]-2-thiophen-2-ylacetamide
CID 62502320
2-thiophen-2-yl-N-[2-[(2-thiophen-2-ylacetyl)amino]ethyl]acetamide
CID 25146649
N-[(3-cyanophenyl)methyl]-2-thiophen-2-ylacetamide
CID 47162733
N-(furan-3-ylmethyl)-2-thiophen-2-ylacetamide
CID 47350839
N,N-dimethyl-2-[[N'-[(3-methyl-4-methylsulfonylphenyl)methyl]-N-(2-thiophen-2-ylethyl)carbamimidoyl]amino]acetamide
CID 110047086

Frequently Asked Questions

What is the IUPAC name of N-[(3-methyl-4-methylsulfonylphenyl)methyl]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[(3-methyl-4-methylsulfonylphenyl)methyl]-2-thiophen-2-ylacetamide (CID 71970651) is N-[(3-methyl-4-methylsulfonylphenyl)methyl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[(3-methyl-4-methylsulfonylphenyl)methyl]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[(3-methyl-4-methylsulfonylphenyl)methyl]-2-thiophen-2-ylacetamide is Cc1cc(CNC(=O)Cc2cccs2)ccc1S(C)(=O)=O.
What is the InChIKey of N-[(3-methyl-4-methylsulfonylphenyl)methyl]-2-thiophen-2-ylacetamide?
The InChIKey is HKSQXKRXVYLOSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3S2/c1-11-8-12(5-6-14(11)21(2,18)19)10-16-15(17)9-13-4-3-7-20-13/h3-8H,9-10H2,1-2H3,(H,16,17).
What are the key properties of N-[(3-methyl-4-methylsulfonylphenyl)methyl]-2-thiophen-2-ylacetamide?
N-[(3-methyl-4-methylsulfonylphenyl)methyl]-2-thiophen-2-ylacetamide has a molecular weight of 323.44 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methyl-4-methylsulfonylphenyl)methyl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 71970651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).