2-(difluoromethylsulfonyl)-N-methyl-N-(thiophen-2-ylmethyl)acetamide

C9H11F2NO3S2 — CID 136562321

IUPAC2-(difluoromethylsulfonyl)-N-methyl-N-(thiophen-2-ylmethyl)acetamide
SMILESCN(Cc1cccs1)C(=O)CS(=O)(=O)C(F)F
InChIInChI=1S/C9H11F2NO3S2/c1-12(5-7-3-2-4-16-7)8(13)6-17(14,15)9(10)11/h2-4,9H,5-6H2,1H3
InChIKeySPKWQPBMUFBDHN-UHFFFAOYSA-N
MW283.32 g/mol
LogP1.34
Rot. Bonds5

About 2-(difluoromethylsulfonyl)-N-methyl-N-(thiophen-2-ylmethyl)acetamide

2-(difluoromethylsulfonyl)-N-methyl-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 136562321) has the molecular formula C9H11F2NO3S2 and a molecular weight of 283.32 g/mol. Its IUPAC name is 2-(difluoromethylsulfonyl)-N-methyl-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(difluoromethylsulfonyl)-N-methyl-N-(thiophen-2-ylmethyl)acetamide
PubChem CID136562321
Molecular FormulaC9H11F2NO3S2
Molecular Weight283.32 g/mol
Exact Mass283.01
IUPAC Name2-(difluoromethylsulfonyl)-N-methyl-N-(thiophen-2-ylmethyl)acetamide
SMILESCN(Cc1cccs1)C(=O)CS(=O)(=O)C(F)F
InChIInChI=1S/C9H11F2NO3S2/c1-12(5-7-3-2-4-16-7)8(13)6-17(14,15)9(10)11/h2-4,9H,5-6H2,1H3
InChIKeySPKWQPBMUFBDHN-UHFFFAOYSA-N
XLogP1.34
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.32
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethylsulfonyl)-N-methyl-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of 2-(difluoromethylsulfonyl)-N-methyl-N-(thiophen-2-ylmethyl)acetamide (CID 136562321) is 2-(difluoromethylsulfonyl)-N-methyl-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(difluoromethylsulfonyl)-N-methyl-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for 2-(difluoromethylsulfonyl)-N-methyl-N-(thiophen-2-ylmethyl)acetamide is CN(Cc1cccs1)C(=O)CS(=O)(=O)C(F)F.
What is the InChIKey of 2-(difluoromethylsulfonyl)-N-methyl-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is SPKWQPBMUFBDHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F2NO3S2/c1-12(5-7-3-2-4-16-7)8(13)6-17(14,15)9(10)11/h2-4,9H,5-6H2,1H3.
What are the key properties of 2-(difluoromethylsulfonyl)-N-methyl-N-(thiophen-2-ylmethyl)acetamide?
2-(difluoromethylsulfonyl)-N-methyl-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 283.32 g/mol, XLogP of 1.34, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethylsulfonyl)-N-methyl-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 136562321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).