2-[cyclopropyl(methylsulfonyl)amino]-N-[(4-fluorophenyl)methyl]acetamide

C13H17FN2O3S — CID 113147872

IUPAC2-[cyclopropyl(methylsulfonyl)amino]-N-[(4-fluorophenyl)methyl]acetamide
SMILESCS(=O)(=O)N(CC(=O)NCc1ccc(F)cc1)C1CC1
InChIInChI=1S/C13H17FN2O3S/c1-20(18,19)16(12-6-7-12)9-13(17)15-8-10-2-4-11(14)5-3-10/h2-5,12H,6-9H2,1H3,(H,15,17)
InChIKeyRHBXMIARZCWRGY-UHFFFAOYSA-N
MW300.35 g/mol
LogP0.87
Rot. Bonds6

About 2-[cyclopropyl(methylsulfonyl)amino]-N-[(4-fluorophenyl)methyl]acetamide

2-[cyclopropyl(methylsulfonyl)amino]-N-[(4-fluorophenyl)methyl]acetamide (PubChem CID 113147872) has the molecular formula C13H17FN2O3S and a molecular weight of 300.35 g/mol. Its IUPAC name is 2-[cyclopropyl(methylsulfonyl)amino]-N-[(4-fluorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[cyclopropyl(methylsulfonyl)amino]-N-[(4-fluorophenyl)methyl]acetamide
PubChem CID113147872
Molecular FormulaC13H17FN2O3S
Molecular Weight300.35 g/mol
Exact Mass300.09
IUPAC Name2-[cyclopropyl(methylsulfonyl)amino]-N-[(4-fluorophenyl)methyl]acetamide
SMILESCS(=O)(=O)N(CC(=O)NCc1ccc(F)cc1)C1CC1
InChIInChI=1S/C13H17FN2O3S/c1-20(18,19)16(12-6-7-12)9-13(17)15-8-10-2-4-11(14)5-3-10/h2-5,12H,6-9H2,1H3,(H,15,17)
InChIKeyRHBXMIARZCWRGY-UHFFFAOYSA-N
XLogP0.87
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.35
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[cycloheptyl(methylsulfonyl)amino]-N-[(4-fluorophenyl)methyl]acetamide
CID 113153055
2-[cyclopropyl(methylsulfonyl)amino]-N-[(4-methylphenyl)methyl]acetamide
CID 113147868
N-[(4-chlorophenyl)methyl]-2-[cyclohexyl(methylsulfonyl)amino]acetamide
CID 989289
N-[(4-fluorophenyl)methyl]-2-[methyl(methylsulfonyl)amino]acetamide
CID 30464785
N-[2-[cyclopropyl(methylsulfonyl)amino]ethyl]-2-(4-fluorophenyl)acetamide
CID 113065116
2-[cyclopentyl(methylsulfonyl)amino]-N-(4-fluorophenyl)acetamide
CID 113148937
2-[cyclohexyl(methylsulfonyl)amino]-N-(4-fluorophenyl)acetamide
CID 2111492
2-[cyclopropyl(methylsulfonyl)amino]-N-[(2-methoxyphenyl)methyl]acetamide
CID 113147875
2-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-N-[(4-methylphenyl)methyl]acetamide
CID 27119187
2-[cyclohexyl(methylsulfonyl)amino]-N-[(2-fluorophenyl)methyl]acetamide
CID 113149028
2-[cyclohexyl-(4-fluorophenyl)sulfonylamino]-N-(pyridin-4-ylmethyl)acetamide
CID 1330319
N-[(4-fluorophenyl)methyl]-2-[methylsulfonyl(prop-2-enyl)amino]acetamide
CID 113148070

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl(methylsulfonyl)amino]-N-[(4-fluorophenyl)methyl]acetamide?
The IUPAC name of 2-[cyclopropyl(methylsulfonyl)amino]-N-[(4-fluorophenyl)methyl]acetamide (CID 113147872) is 2-[cyclopropyl(methylsulfonyl)amino]-N-[(4-fluorophenyl)methyl]acetamide.
What is the SMILES notation for 2-[cyclopropyl(methylsulfonyl)amino]-N-[(4-fluorophenyl)methyl]acetamide?
The canonical SMILES for 2-[cyclopropyl(methylsulfonyl)amino]-N-[(4-fluorophenyl)methyl]acetamide is CS(=O)(=O)N(CC(=O)NCc1ccc(F)cc1)C1CC1.
What is the InChIKey of 2-[cyclopropyl(methylsulfonyl)amino]-N-[(4-fluorophenyl)methyl]acetamide?
The InChIKey is RHBXMIARZCWRGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O3S/c1-20(18,19)16(12-6-7-12)9-13(17)15-8-10-2-4-11(14)5-3-10/h2-5,12H,6-9H2,1H3,(H,15,17).
What are the key properties of 2-[cyclopropyl(methylsulfonyl)amino]-N-[(4-fluorophenyl)methyl]acetamide?
2-[cyclopropyl(methylsulfonyl)amino]-N-[(4-fluorophenyl)methyl]acetamide has a molecular weight of 300.35 g/mol, XLogP of 0.87, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl(methylsulfonyl)amino]-N-[(4-fluorophenyl)methyl]acetamide is sourced from PubChem (CID 113147872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).