N-(1,1-dioxothiolan-3-yl)-3-[(2-fluorophenyl)methyl-methylsulfonylamino]propanamide

C15H21FN2O5S2 — CID 113139225

IUPACN-(1,1-dioxothiolan-3-yl)-3-[(2-fluorophenyl)methyl-methylsulfonylamino]propanamide
SMILESCS(=O)(=O)N(CCC(=O)NC1CCS(=O)(=O)C1)Cc1ccccc1F
InChIInChI=1S/C15H21FN2O5S2/c1-24(20,21)18(10-12-4-2-3-5-14(12)16)8-6-15(19)17-13-7-9-25(22,23)11-13/h2-5,13H,6-11H2,1H3,(H,17,19)
InChIKeyJUHMNLPKZBIYCY-UHFFFAOYSA-N
MW392.47 g/mol
LogP0.28
Rot. Bonds7

About N-(1,1-dioxothiolan-3-yl)-3-[(2-fluorophenyl)methyl-methylsulfonylamino]propanamide

N-(1,1-dioxothiolan-3-yl)-3-[(2-fluorophenyl)methyl-methylsulfonylamino]propanamide (PubChem CID 113139225) has the molecular formula C15H21FN2O5S2 and a molecular weight of 392.47 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-3-[(2-fluorophenyl)methyl-methylsulfonylamino]propanamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-3-[(2-fluorophenyl)methyl-methylsulfonylamino]propanamide
PubChem CID113139225
Molecular FormulaC15H21FN2O5S2
Molecular Weight392.47 g/mol
Exact Mass392.09
IUPAC NameN-(1,1-dioxothiolan-3-yl)-3-[(2-fluorophenyl)methyl-methylsulfonylamino]propanamide
SMILESCS(=O)(=O)N(CCC(=O)NC1CCS(=O)(=O)C1)Cc1ccccc1F
InChIInChI=1S/C15H21FN2O5S2/c1-24(20,21)18(10-12-4-2-3-5-14(12)16)8-6-15(19)17-13-7-9-25(22,23)11-13/h2-5,13H,6-11H2,1H3,(H,17,19)
InChIKeyJUHMNLPKZBIYCY-UHFFFAOYSA-N
XLogP0.28
TPSA100.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.47
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(N-acetyl-2-fluoroanilino)-N-(1,1-dioxothiolan-3-yl)propanamide
CID 113126678
3-[butyl(methylsulfonyl)amino]-N-(1,1-dioxothiolan-3-yl)propanamide
CID 113136680
N-cyclopropyl-3-[(2-methylphenyl)methyl-methylsulfonylamino]propanamide
CID 113138741
3-[acetyl(benzyl)amino]-N-(1,1-dioxothiolan-3-yl)propanamide
CID 113118228
N-(1,1-dioxothiolan-3-yl)-3-(2-fluorophenyl)sulfanylpropanamide
CID 47012967
3-[acetyl-[(2-methoxyphenyl)methyl]amino]-N-(1,1-dioxothiolan-3-yl)propanamide
CID 113119754
N-(1,1-dioxothiolan-3-yl)-3-[methylsulfonyl(oxolan-2-ylmethyl)amino]propanamide
CID 113137971
N-[(2-fluorophenyl)methyl]-3-[(2-methylphenyl)methyl-methylsulfonylamino]propanamide
CID 113138770
N-(2-ethyl-6-methylphenyl)-3-[(2-fluorophenyl)methyl-methylsulfonylamino]propanamide
CID 113139253
3-(N-acetyl-2,3,4-trifluoroanilino)-N-(1,1-dioxothiolan-3-yl)propanamide
CID 113135238
N-[(3S)-1,1-dioxothiolan-3-yl]-2-phenylacetamide
CID 40569648
N-(1,1-dioxothiolan-3-yl)-3-[[ethylamino-[2-(2-fluorophenyl)ethylamino]methylidene]amino]propanamide
CID 111361841

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-3-[(2-fluorophenyl)methyl-methylsulfonylamino]propanamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-3-[(2-fluorophenyl)methyl-methylsulfonylamino]propanamide (CID 113139225) is N-(1,1-dioxothiolan-3-yl)-3-[(2-fluorophenyl)methyl-methylsulfonylamino]propanamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-3-[(2-fluorophenyl)methyl-methylsulfonylamino]propanamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-3-[(2-fluorophenyl)methyl-methylsulfonylamino]propanamide is CS(=O)(=O)N(CCC(=O)NC1CCS(=O)(=O)C1)Cc1ccccc1F.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-3-[(2-fluorophenyl)methyl-methylsulfonylamino]propanamide?
The InChIKey is JUHMNLPKZBIYCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O5S2/c1-24(20,21)18(10-12-4-2-3-5-14(12)16)8-6-15(19)17-13-7-9-25(22,23)11-13/h2-5,13H,6-11H2,1H3,(H,17,19).
What are the key properties of N-(1,1-dioxothiolan-3-yl)-3-[(2-fluorophenyl)methyl-methylsulfonylamino]propanamide?
N-(1,1-dioxothiolan-3-yl)-3-[(2-fluorophenyl)methyl-methylsulfonylamino]propanamide has a molecular weight of 392.47 g/mol, XLogP of 0.28, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-3-[(2-fluorophenyl)methyl-methylsulfonylamino]propanamide is sourced from PubChem (CID 113139225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).