2-[cyclohexyl(methylsulfonyl)amino]-N-(2-fluorophenyl)acetamide

C15H21FN2O3S — CID 964121

IUPAC2-[cyclohexyl(methylsulfonyl)amino]-N-(2-fluorophenyl)acetamide
SMILESCS(=O)(=O)N(CC(=O)Nc1ccccc1F)C1CCCCC1
InChIInChI=1S/C15H21FN2O3S/c1-22(20,21)18(12-7-3-2-4-8-12)11-15(19)17-14-10-6-5-9-13(14)16/h5-6,9-10,12H,2-4,7-8,11H2,1H3,(H,17,19)
InChIKeyPPVXASPYPONEPU-UHFFFAOYSA-N
MW328.41 g/mol
LogP2.36
Rot. Bonds5

About 2-[cyclohexyl(methylsulfonyl)amino]-N-(2-fluorophenyl)acetamide

2-[cyclohexyl(methylsulfonyl)amino]-N-(2-fluorophenyl)acetamide (PubChem CID 964121) has the molecular formula C15H21FN2O3S and a molecular weight of 328.41 g/mol. Its IUPAC name is 2-[cyclohexyl(methylsulfonyl)amino]-N-(2-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[cyclohexyl(methylsulfonyl)amino]-N-(2-fluorophenyl)acetamide
PubChem CID964121
Molecular FormulaC15H21FN2O3S
Molecular Weight328.41 g/mol
Exact Mass328.13
IUPAC Name2-[cyclohexyl(methylsulfonyl)amino]-N-(2-fluorophenyl)acetamide
SMILESCS(=O)(=O)N(CC(=O)Nc1ccccc1F)C1CCCCC1
InChIInChI=1S/C15H21FN2O3S/c1-22(20,21)18(12-7-3-2-4-8-12)11-15(19)17-14-10-6-5-9-13(14)16/h5-6,9-10,12H,2-4,7-8,11H2,1H3,(H,17,19)
InChIKeyPPVXASPYPONEPU-UHFFFAOYSA-N
XLogP2.36
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 52.36
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-fluorophenyl)acetamide?
The IUPAC name of 2-[cyclohexyl(methylsulfonyl)amino]-N-(2-fluorophenyl)acetamide (CID 964121) is 2-[cyclohexyl(methylsulfonyl)amino]-N-(2-fluorophenyl)acetamide.
What is the SMILES notation for 2-[cyclohexyl(methylsulfonyl)amino]-N-(2-fluorophenyl)acetamide?
The canonical SMILES for 2-[cyclohexyl(methylsulfonyl)amino]-N-(2-fluorophenyl)acetamide is CS(=O)(=O)N(CC(=O)Nc1ccccc1F)C1CCCCC1.
What is the InChIKey of 2-[cyclohexyl(methylsulfonyl)amino]-N-(2-fluorophenyl)acetamide?
The InChIKey is PPVXASPYPONEPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O3S/c1-22(20,21)18(12-7-3-2-4-8-12)11-15(19)17-14-10-6-5-9-13(14)16/h5-6,9-10,12H,2-4,7-8,11H2,1H3,(H,17,19).
What are the key properties of 2-[cyclohexyl(methylsulfonyl)amino]-N-(2-fluorophenyl)acetamide?
2-[cyclohexyl(methylsulfonyl)amino]-N-(2-fluorophenyl)acetamide has a molecular weight of 328.41 g/mol, XLogP of 2.36, 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-fluorophenyl)acetamide is sourced from PubChem (CID 964121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).