2-[cyclohexyl(methylsulfonyl)amino]-N-(2,4-difluorophenyl)acetamide

C15H20F2N2O3S — CID 954246

IUPAC2-[cyclohexyl(methylsulfonyl)amino]-N-(2,4-difluorophenyl)acetamide
SMILESCS(=O)(=O)N(CC(=O)Nc1ccc(F)cc1F)C1CCCCC1
InChIInChI=1S/C15H20F2N2O3S/c1-23(21,22)19(12-5-3-2-4-6-12)10-15(20)18-14-8-7-11(16)9-13(14)17/h7-9,12H,2-6,10H2,1H3,(H,18,20)
InChIKeyWSROCHWKEUBJKL-UHFFFAOYSA-N
MW346.40 g/mol
LogP2.50
Rot. Bonds5

About 2-[cyclohexyl(methylsulfonyl)amino]-N-(2,4-difluorophenyl)acetamide

2-[cyclohexyl(methylsulfonyl)amino]-N-(2,4-difluorophenyl)acetamide (PubChem CID 954246) has the molecular formula C15H20F2N2O3S and a molecular weight of 346.40 g/mol. Its IUPAC name is 2-[cyclohexyl(methylsulfonyl)amino]-N-(2,4-difluorophenyl)acetamide.

Molecular Properties

Compound Name2-[cyclohexyl(methylsulfonyl)amino]-N-(2,4-difluorophenyl)acetamide
PubChem CID954246
Molecular FormulaC15H20F2N2O3S
Molecular Weight346.40 g/mol
Exact Mass346.12
IUPAC Name2-[cyclohexyl(methylsulfonyl)amino]-N-(2,4-difluorophenyl)acetamide
SMILESCS(=O)(=O)N(CC(=O)Nc1ccc(F)cc1F)C1CCCCC1
InChIInChI=1S/C15H20F2N2O3S/c1-23(21,22)19(12-5-3-2-4-6-12)10-15(20)18-14-8-7-11(16)9-13(14)17/h7-9,12H,2-6,10H2,1H3,(H,18,20)
InChIKeyWSROCHWKEUBJKL-UHFFFAOYSA-N
XLogP2.50
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.40
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclohexyl(methylsulfonyl)amino]-N-(2,4-difluorophenyl)acetamide?
The IUPAC name of 2-[cyclohexyl(methylsulfonyl)amino]-N-(2,4-difluorophenyl)acetamide (CID 954246) is 2-[cyclohexyl(methylsulfonyl)amino]-N-(2,4-difluorophenyl)acetamide.
What is the SMILES notation for 2-[cyclohexyl(methylsulfonyl)amino]-N-(2,4-difluorophenyl)acetamide?
The canonical SMILES for 2-[cyclohexyl(methylsulfonyl)amino]-N-(2,4-difluorophenyl)acetamide is CS(=O)(=O)N(CC(=O)Nc1ccc(F)cc1F)C1CCCCC1.
What is the InChIKey of 2-[cyclohexyl(methylsulfonyl)amino]-N-(2,4-difluorophenyl)acetamide?
The InChIKey is WSROCHWKEUBJKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2N2O3S/c1-23(21,22)19(12-5-3-2-4-6-12)10-15(20)18-14-8-7-11(16)9-13(14)17/h7-9,12H,2-6,10H2,1H3,(H,18,20).
What are the key properties of 2-[cyclohexyl(methylsulfonyl)amino]-N-(2,4-difluorophenyl)acetamide?
2-[cyclohexyl(methylsulfonyl)amino]-N-(2,4-difluorophenyl)acetamide has a molecular weight of 346.40 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclohexyl(methylsulfonyl)amino]-N-(2,4-difluorophenyl)acetamide is sourced from PubChem (CID 954246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).