1-[1-(dimethylsulfamoylamino)-3-(3-fluorophenyl)propan-2-yl]-2-oxoimidazolidine

C14H21FN4O3S — CID 71784667

IUPAC1-[1-(dimethylsulfamoylamino)-3-(3-fluorophenyl)propan-2-yl]-2-oxoimidazolidine
SMILESCN(C)S(=O)(=O)NCC(Cc1cccc(F)c1)N1CCNC1=O
InChIInChI=1S/C14H21FN4O3S/c1-18(2)23(21,22)17-10-13(19-7-6-16-14(19)20)9-11-4-3-5-12(15)8-11/h3-5,8,13,17H,6-7,9-10H2,1-2H3,(H,16,20)
InChIKeyJXGXEQFESLKCQT-UHFFFAOYSA-N
MW344.41 g/mol
LogP0.16
Rot. Bonds7

About 1-[1-(dimethylsulfamoylamino)-3-(3-fluorophenyl)propan-2-yl]-2-oxoimidazolidine

1-[1-(dimethylsulfamoylamino)-3-(3-fluorophenyl)propan-2-yl]-2-oxoimidazolidine (PubChem CID 71784667) has the molecular formula C14H21FN4O3S and a molecular weight of 344.41 g/mol. Its IUPAC name is 1-[1-(dimethylsulfamoylamino)-3-(3-fluorophenyl)propan-2-yl]-2-oxoimidazolidine.

Molecular Properties

Compound Name1-[1-(dimethylsulfamoylamino)-3-(3-fluorophenyl)propan-2-yl]-2-oxoimidazolidine
PubChem CID71784667
Molecular FormulaC14H21FN4O3S
Molecular Weight344.41 g/mol
Exact Mass344.13
IUPAC Name1-[1-(dimethylsulfamoylamino)-3-(3-fluorophenyl)propan-2-yl]-2-oxoimidazolidine
SMILESCN(C)S(=O)(=O)NCC(Cc1cccc(F)c1)N1CCNC1=O
InChIInChI=1S/C14H21FN4O3S/c1-18(2)23(21,22)17-10-13(19-7-6-16-14(19)20)9-11-4-3-5-12(15)8-11/h3-5,8,13,17H,6-7,9-10H2,1-2H3,(H,16,20)
InChIKeyJXGXEQFESLKCQT-UHFFFAOYSA-N
XLogP0.16
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(dimethylsulfamoylamino)-3-(3-fluorophenyl)propan-2-yl]-2-oxoimidazolidine?
The IUPAC name of 1-[1-(dimethylsulfamoylamino)-3-(3-fluorophenyl)propan-2-yl]-2-oxoimidazolidine (CID 71784667) is 1-[1-(dimethylsulfamoylamino)-3-(3-fluorophenyl)propan-2-yl]-2-oxoimidazolidine.
What is the SMILES notation for 1-[1-(dimethylsulfamoylamino)-3-(3-fluorophenyl)propan-2-yl]-2-oxoimidazolidine?
The canonical SMILES for 1-[1-(dimethylsulfamoylamino)-3-(3-fluorophenyl)propan-2-yl]-2-oxoimidazolidine is CN(C)S(=O)(=O)NCC(Cc1cccc(F)c1)N1CCNC1=O.
What is the InChIKey of 1-[1-(dimethylsulfamoylamino)-3-(3-fluorophenyl)propan-2-yl]-2-oxoimidazolidine?
The InChIKey is JXGXEQFESLKCQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN4O3S/c1-18(2)23(21,22)17-10-13(19-7-6-16-14(19)20)9-11-4-3-5-12(15)8-11/h3-5,8,13,17H,6-7,9-10H2,1-2H3,(H,16,20).
What are the key properties of 1-[1-(dimethylsulfamoylamino)-3-(3-fluorophenyl)propan-2-yl]-2-oxoimidazolidine?
1-[1-(dimethylsulfamoylamino)-3-(3-fluorophenyl)propan-2-yl]-2-oxoimidazolidine has a molecular weight of 344.41 g/mol, XLogP of 0.16, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(dimethylsulfamoylamino)-3-(3-fluorophenyl)propan-2-yl]-2-oxoimidazolidine is sourced from PubChem (CID 71784667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).