2-(ethylsulfonylamino)-N-[1-(3-fluorophenyl)propan-2-yl]acetamide

C13H19FN2O3S — CID 84590677

IUPAC2-(ethylsulfonylamino)-N-[1-(3-fluorophenyl)propan-2-yl]acetamide
SMILESCCS(=O)(=O)NCC(=O)NC(C)Cc1cccc(F)c1
InChIInChI=1S/C13H19FN2O3S/c1-3-20(18,19)15-9-13(17)16-10(2)7-11-5-4-6-12(14)8-11/h4-6,8,10,15H,3,7,9H2,1-2H3,(H,16,17)
InChIKeyNIBTZESKFISPOQ-UHFFFAOYSA-N
MW302.37 g/mol
LogP0.81
Rot. Bonds7

About 2-(ethylsulfonylamino)-N-[1-(3-fluorophenyl)propan-2-yl]acetamide

2-(ethylsulfonylamino)-N-[1-(3-fluorophenyl)propan-2-yl]acetamide (PubChem CID 84590677) has the molecular formula C13H19FN2O3S and a molecular weight of 302.37 g/mol. Its IUPAC name is 2-(ethylsulfonylamino)-N-[1-(3-fluorophenyl)propan-2-yl]acetamide.

Molecular Properties

Compound Name2-(ethylsulfonylamino)-N-[1-(3-fluorophenyl)propan-2-yl]acetamide
PubChem CID84590677
Molecular FormulaC13H19FN2O3S
Molecular Weight302.37 g/mol
Exact Mass302.11
IUPAC Name2-(ethylsulfonylamino)-N-[1-(3-fluorophenyl)propan-2-yl]acetamide
SMILESCCS(=O)(=O)NCC(=O)NC(C)Cc1cccc(F)c1
InChIInChI=1S/C13H19FN2O3S/c1-3-20(18,19)15-9-13(17)16-10(2)7-11-5-4-6-12(14)8-11/h4-6,8,10,15H,3,7,9H2,1-2H3,(H,16,17)
InChIKeyNIBTZESKFISPOQ-UHFFFAOYSA-N
XLogP0.81
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[4-(3-fluorophenyl)-3-methylbutanoyl]amino]butanoic acid
CID 119347966
2-[1-(3-fluorophenyl)propan-2-ylamino]-N-methylacetamide
CID 115706785
1-[(2S)-1-(3-fluorophenyl)propan-2-yl]-3-[(2S)-1-hydroxybutan-2-yl]urea
CID 99856761
2-(3-fluorophenyl)-N-[(2S)-pentan-2-yl]acetamide
CID 92647594
N-[1-(3-fluorophenyl)propan-2-yl]-2-(1-hydroxycyclohexyl)acetamide
CID 111538966
2-(3-fluorophenyl)-N-(1-hydroxypropan-2-yl)acetamide
CID 43419046
N-[1-(3,5-difluorophenyl)propan-2-yl]propanamide
CID 145176133
N-[1-(2-chlorophenyl)propan-2-yl]-2-(3-fluorophenyl)acetamide
CID 42961637
2-(dimethylsulfamoyl)-N-[1-(3-fluorophenyl)propan-2-yl]benzamide
CID 166235306
2-[1-(3-fluorophenyl)propan-2-ylamino]propanamide
CID 115708042
N-(4-bromobutan-2-yl)-2-(3-fluorophenyl)acetamide
CID 83180361
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CID 62092603

Frequently Asked Questions

What is the IUPAC name of 2-(ethylsulfonylamino)-N-[1-(3-fluorophenyl)propan-2-yl]acetamide?
The IUPAC name of 2-(ethylsulfonylamino)-N-[1-(3-fluorophenyl)propan-2-yl]acetamide (CID 84590677) is 2-(ethylsulfonylamino)-N-[1-(3-fluorophenyl)propan-2-yl]acetamide.
What is the SMILES notation for 2-(ethylsulfonylamino)-N-[1-(3-fluorophenyl)propan-2-yl]acetamide?
The canonical SMILES for 2-(ethylsulfonylamino)-N-[1-(3-fluorophenyl)propan-2-yl]acetamide is CCS(=O)(=O)NCC(=O)NC(C)Cc1cccc(F)c1.
What is the InChIKey of 2-(ethylsulfonylamino)-N-[1-(3-fluorophenyl)propan-2-yl]acetamide?
The InChIKey is NIBTZESKFISPOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O3S/c1-3-20(18,19)15-9-13(17)16-10(2)7-11-5-4-6-12(14)8-11/h4-6,8,10,15H,3,7,9H2,1-2H3,(H,16,17).
What are the key properties of 2-(ethylsulfonylamino)-N-[1-(3-fluorophenyl)propan-2-yl]acetamide?
2-(ethylsulfonylamino)-N-[1-(3-fluorophenyl)propan-2-yl]acetamide has a molecular weight of 302.37 g/mol, XLogP of 0.81, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylsulfonylamino)-N-[1-(3-fluorophenyl)propan-2-yl]acetamide is sourced from PubChem (CID 84590677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).