(4R,5R)-4,5-dimethoxy-1-naphthalen-2-ylsulfonylimidazolidin-2-one

C15H16N2O5S — CID 57396652

IUPAC(4R,5R)-4,5-dimethoxy-1-naphthalen-2-ylsulfonylimidazolidin-2-one
SMILESCO[C@H]1NC(=O)N(S(=O)(=O)c2ccc3ccccc3c2)[C@@H]1OC
InChIInChI=1S/C15H16N2O5S/c1-21-13-14(22-2)17(15(18)16-13)23(19,20)12-8-7-10-5-3-4-6-11(10)9-12/h3-9,13-14H,1-2H3,(H,16,18)/t13-,14-/m1/s1
InChIKeyOLZHBZWIEFURJT-ZIAGYGMSSA-N
MW336.37 g/mol
LogP1.50
Rot. Bonds4

About (4R,5R)-4,5-dimethoxy-1-naphthalen-2-ylsulfonylimidazolidin-2-one

(4R,5R)-4,5-dimethoxy-1-naphthalen-2-ylsulfonylimidazolidin-2-one (PubChem CID 57396652) has the molecular formula C15H16N2O5S and a molecular weight of 336.37 g/mol. Its IUPAC name is (4R,5R)-4,5-dimethoxy-1-naphthalen-2-ylsulfonylimidazolidin-2-one.

Molecular Properties

Compound Name(4R,5R)-4,5-dimethoxy-1-naphthalen-2-ylsulfonylimidazolidin-2-one
PubChem CID57396652
Molecular FormulaC15H16N2O5S
Molecular Weight336.37 g/mol
Exact Mass336.08
IUPAC Name(4R,5R)-4,5-dimethoxy-1-naphthalen-2-ylsulfonylimidazolidin-2-one
SMILESCO[C@H]1NC(=O)N(S(=O)(=O)c2ccc3ccccc3c2)[C@@H]1OC
InChIInChI=1S/C15H16N2O5S/c1-21-13-14(22-2)17(15(18)16-13)23(19,20)12-8-7-10-5-3-4-6-11(10)9-12/h3-9,13-14H,1-2H3,(H,16,18)/t13-,14-/m1/s1
InChIKeyOLZHBZWIEFURJT-ZIAGYGMSSA-N
XLogP1.50
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.37
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-ethoxy-1-naphthalen-2-ylsulfonylpyrrolidin-2-one
CID 3086696
1-naphthalen-2-ylsulfonyl-4-phenylpiperidine
CID 4729267
(4-methoxy-1-naphthalen-2-ylsulfonylpiperidin-2-yl)methanamine
CID 120718734
6-methoxycarbonyl-1-naphthalen-2-ylsulfonylpiperidine-3-carboxylic acid
CID 69429564
methoxy naphthalene-2-sulfonate
CID 154112569
2-methyl-1-naphthalen-2-ylsulfonylpiperidine
CID 3745150
(2S)-1-naphthalen-2-ylsulfonyl-2,3-dihydroindole-2-carboxylic acid
CID 164640962
3-naphthalen-2-ylsulfonyl-3,9-diazabicyclo[4.2.1]nonane
CID 119989319
(1R,4R)-2-naphthalen-2-ylsulfonyl-2,5-diazabicyclo[2.2.1]heptane
CID 58845145
(1S,4S)-2-naphthalen-2-ylsulfonyl-2,5-diazabicyclo[2.2.1]heptane
CID 131855852
1-naphthalen-2-ylsulfonylpyrrolidine
CID 819722
(2S,6S)-2,6-dimethyl-4-naphthalen-2-ylsulfonylmorpholine
CID 704067

Frequently Asked Questions

What is the IUPAC name of (4R,5R)-4,5-dimethoxy-1-naphthalen-2-ylsulfonylimidazolidin-2-one?
The IUPAC name of (4R,5R)-4,5-dimethoxy-1-naphthalen-2-ylsulfonylimidazolidin-2-one (CID 57396652) is (4R,5R)-4,5-dimethoxy-1-naphthalen-2-ylsulfonylimidazolidin-2-one.
What is the SMILES notation for (4R,5R)-4,5-dimethoxy-1-naphthalen-2-ylsulfonylimidazolidin-2-one?
The canonical SMILES for (4R,5R)-4,5-dimethoxy-1-naphthalen-2-ylsulfonylimidazolidin-2-one is CO[C@H]1NC(=O)N(S(=O)(=O)c2ccc3ccccc3c2)[C@@H]1OC.
What is the InChIKey of (4R,5R)-4,5-dimethoxy-1-naphthalen-2-ylsulfonylimidazolidin-2-one?
The InChIKey is OLZHBZWIEFURJT-ZIAGYGMSSA-N. The full InChI is InChI=1S/C15H16N2O5S/c1-21-13-14(22-2)17(15(18)16-13)23(19,20)12-8-7-10-5-3-4-6-11(10)9-12/h3-9,13-14H,1-2H3,(H,16,18)/t13-,14-/m1/s1.
What are the key properties of (4R,5R)-4,5-dimethoxy-1-naphthalen-2-ylsulfonylimidazolidin-2-one?
(4R,5R)-4,5-dimethoxy-1-naphthalen-2-ylsulfonylimidazolidin-2-one has a molecular weight of 336.37 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-4,5-dimethoxy-1-naphthalen-2-ylsulfonylimidazolidin-2-one is sourced from PubChem (CID 57396652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).