2-methoxy-N-[4-(2-oxoimidazolidin-1-yl)phenyl]ethanesulfonamide

C12H17N3O4S — CID 62677742

IUPAC2-methoxy-N-[4-(2-oxoimidazolidin-1-yl)phenyl]ethanesulfonamide
SMILESCOCCS(=O)(=O)Nc1ccc(N2CCNC2=O)cc1
InChIInChI=1S/C12H17N3O4S/c1-19-8-9-20(17,18)14-10-2-4-11(5-3-10)15-7-6-13-12(15)16/h2-5,14H,6-9H2,1H3,(H,13,16)
InChIKeyMDQHROYEBZFWJS-UHFFFAOYSA-N
MW299.35 g/mol
LogP0.60
Rot. Bonds6

About 2-methoxy-N-[4-(2-oxoimidazolidin-1-yl)phenyl]ethanesulfonamide

2-methoxy-N-[4-(2-oxoimidazolidin-1-yl)phenyl]ethanesulfonamide (PubChem CID 62677742) has the molecular formula C12H17N3O4S and a molecular weight of 299.35 g/mol. Its IUPAC name is 2-methoxy-N-[4-(2-oxoimidazolidin-1-yl)phenyl]ethanesulfonamide.

Molecular Properties

Compound Name2-methoxy-N-[4-(2-oxoimidazolidin-1-yl)phenyl]ethanesulfonamide
PubChem CID62677742
Molecular FormulaC12H17N3O4S
Molecular Weight299.35 g/mol
Exact Mass299.09
IUPAC Name2-methoxy-N-[4-(2-oxoimidazolidin-1-yl)phenyl]ethanesulfonamide
SMILESCOCCS(=O)(=O)Nc1ccc(N2CCNC2=O)cc1
InChIInChI=1S/C12H17N3O4S/c1-19-8-9-20(17,18)14-10-2-4-11(5-3-10)15-7-6-13-12(15)16/h2-5,14H,6-9H2,1H3,(H,13,16)
InChIKeyMDQHROYEBZFWJS-UHFFFAOYSA-N
XLogP0.60
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.35
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(2-oxo-1,3-diazinan-1-yl)phenyl]-2-phenylethanesulfonamide
CID 110666780
N-[4-(4-ethylsulfonylpiperazin-1-yl)phenyl]-2-methoxyethanesulfonamide
CID 110302048
N-[4-(4-acetylpiperazin-1-yl)phenyl]-2-methoxyethanesulfonamide
CID 110615144
4-methyl-N-[4-(2-oxoimidazolidin-1-yl)phenyl]benzenesulfonamide
CID 46680409
N-[4-(2-oxoimidazolidin-1-yl)phenyl]thiophene-2-sulfonamide
CID 60707214
1-[4-(heptan-4-ylamino)phenyl]imidazolidin-2-one
CID 43724866
3,4-dimethyl-N-[4-(2-oxoimidazolidin-1-yl)phenyl]benzenesulfonamide
CID 110873996
1-[4-(propylamino)phenyl]imidazolidin-2-one
CID 43724895
1-[4-(prop-2-ynylamino)phenyl]imidazolidin-2-one
CID 63952685
1-[4-(dimethylsulfamoylamino)phenyl]-2-oxo-1,3-diazinane
CID 110666756
N-[4-(2-chloroethyl)phenyl]-2-methoxyethanesulfonamide
CID 65030956
4-fluoro-3-methyl-N-[4-(2-oxoimidazolidin-1-yl)phenyl]benzenesulfonamide
CID 110873999

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[4-(2-oxoimidazolidin-1-yl)phenyl]ethanesulfonamide?
The IUPAC name of 2-methoxy-N-[4-(2-oxoimidazolidin-1-yl)phenyl]ethanesulfonamide (CID 62677742) is 2-methoxy-N-[4-(2-oxoimidazolidin-1-yl)phenyl]ethanesulfonamide.
What is the SMILES notation for 2-methoxy-N-[4-(2-oxoimidazolidin-1-yl)phenyl]ethanesulfonamide?
The canonical SMILES for 2-methoxy-N-[4-(2-oxoimidazolidin-1-yl)phenyl]ethanesulfonamide is COCCS(=O)(=O)Nc1ccc(N2CCNC2=O)cc1.
What is the InChIKey of 2-methoxy-N-[4-(2-oxoimidazolidin-1-yl)phenyl]ethanesulfonamide?
The InChIKey is MDQHROYEBZFWJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O4S/c1-19-8-9-20(17,18)14-10-2-4-11(5-3-10)15-7-6-13-12(15)16/h2-5,14H,6-9H2,1H3,(H,13,16).
What are the key properties of 2-methoxy-N-[4-(2-oxoimidazolidin-1-yl)phenyl]ethanesulfonamide?
2-methoxy-N-[4-(2-oxoimidazolidin-1-yl)phenyl]ethanesulfonamide has a molecular weight of 299.35 g/mol, XLogP of 0.60, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[4-(2-oxoimidazolidin-1-yl)phenyl]ethanesulfonamide is sourced from PubChem (CID 62677742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).