5-[(1R)-1-(benzenesulfonyl)ethyl]-3-tert-butyl-4-ethyl-1H-imidazol-2-one

C17H24N2O3S — CID 1489258

IUPAC5-[(1R)-1-(benzenesulfonyl)ethyl]-3-tert-butyl-4-ethyl-1H-imidazol-2-one
SMILESCCc1c([C@@H](C)S(=O)(=O)c2ccccc2)[nH]c(=O)n1C(C)(C)C
InChIInChI=1S/C17H24N2O3S/c1-6-14-15(18-16(20)19(14)17(3,4)5)12(2)23(21,22)13-10-8-7-9-11-13/h7-12H,6H2,1-5H3,(H,18,20)/t12-/m1/s1
InChIKeyYQLUUFJCZKWMPB-GFCCVEGCSA-N
MW336.46 g/mol
LogP3.03
Rot. Bonds4

About 5-[(1R)-1-(benzenesulfonyl)ethyl]-3-tert-butyl-4-ethyl-1H-imidazol-2-one

5-[(1R)-1-(benzenesulfonyl)ethyl]-3-tert-butyl-4-ethyl-1H-imidazol-2-one (PubChem CID 1489258) has the molecular formula C17H24N2O3S and a molecular weight of 336.46 g/mol. Its IUPAC name is 5-[(1R)-1-(benzenesulfonyl)ethyl]-3-tert-butyl-4-ethyl-1H-imidazol-2-one.

Molecular Properties

Compound Name5-[(1R)-1-(benzenesulfonyl)ethyl]-3-tert-butyl-4-ethyl-1H-imidazol-2-one
PubChem CID1489258
Molecular FormulaC17H24N2O3S
Molecular Weight336.46 g/mol
Exact Mass336.15
IUPAC Name5-[(1R)-1-(benzenesulfonyl)ethyl]-3-tert-butyl-4-ethyl-1H-imidazol-2-one
SMILESCCc1c([C@@H](C)S(=O)(=O)c2ccccc2)[nH]c(=O)n1C(C)(C)C
InChIInChI=1S/C17H24N2O3S/c1-6-14-15(18-16(20)19(14)17(3,4)5)12(2)23(21,22)13-10-8-7-9-11-13/h7-12H,6H2,1-5H3,(H,18,20)/t12-/m1/s1
InChIKeyYQLUUFJCZKWMPB-GFCCVEGCSA-N
XLogP3.03
TPSA71.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.46
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(1R)-1-(benzenesulfonyl)ethyl]-3-tert-butyl-4-ethyl-1H-imidazol-2-one?
The IUPAC name of 5-[(1R)-1-(benzenesulfonyl)ethyl]-3-tert-butyl-4-ethyl-1H-imidazol-2-one (CID 1489258) is 5-[(1R)-1-(benzenesulfonyl)ethyl]-3-tert-butyl-4-ethyl-1H-imidazol-2-one.
What is the SMILES notation for 5-[(1R)-1-(benzenesulfonyl)ethyl]-3-tert-butyl-4-ethyl-1H-imidazol-2-one?
The canonical SMILES for 5-[(1R)-1-(benzenesulfonyl)ethyl]-3-tert-butyl-4-ethyl-1H-imidazol-2-one is CCc1c([C@@H](C)S(=O)(=O)c2ccccc2)[nH]c(=O)n1C(C)(C)C.
What is the InChIKey of 5-[(1R)-1-(benzenesulfonyl)ethyl]-3-tert-butyl-4-ethyl-1H-imidazol-2-one?
The InChIKey is YQLUUFJCZKWMPB-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H24N2O3S/c1-6-14-15(18-16(20)19(14)17(3,4)5)12(2)23(21,22)13-10-8-7-9-11-13/h7-12H,6H2,1-5H3,(H,18,20)/t12-/m1/s1.
What are the key properties of 5-[(1R)-1-(benzenesulfonyl)ethyl]-3-tert-butyl-4-ethyl-1H-imidazol-2-one?
5-[(1R)-1-(benzenesulfonyl)ethyl]-3-tert-butyl-4-ethyl-1H-imidazol-2-one has a molecular weight of 336.46 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1R)-1-(benzenesulfonyl)ethyl]-3-tert-butyl-4-ethyl-1H-imidazol-2-one is sourced from PubChem (CID 1489258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).