5-[(1S)-1-(benzenesulfonyl)ethyl]-4-ethyl-3-(thiophen-2-ylmethyl)-1H-imidazol-2-one

C18H20N2O3S2 — CID 1482667

IUPAC5-[(1S)-1-(benzenesulfonyl)ethyl]-4-ethyl-3-(thiophen-2-ylmethyl)-1H-imidazol-2-one
SMILESCCc1c([C@H](C)S(=O)(=O)c2ccccc2)[nH]c(=O)n1Cc1cccs1
InChIInChI=1S/C18H20N2O3S2/c1-3-16-17(13(2)25(22,23)15-9-5-4-6-10-15)19-18(21)20(16)12-14-8-7-11-24-14/h4-11,13H,3,12H2,1-2H3,(H,19,21)/t13-/m0/s1
InChIKeyVMVLEYKQRIODLO-ZDUSSCGKSA-N
MW376.50 g/mol
LogP3.38
Rot. Bonds6

About 5-[(1S)-1-(benzenesulfonyl)ethyl]-4-ethyl-3-(thiophen-2-ylmethyl)-1H-imidazol-2-one

5-[(1S)-1-(benzenesulfonyl)ethyl]-4-ethyl-3-(thiophen-2-ylmethyl)-1H-imidazol-2-one (PubChem CID 1482667) has the molecular formula C18H20N2O3S2 and a molecular weight of 376.50 g/mol. Its IUPAC name is 5-[(1S)-1-(benzenesulfonyl)ethyl]-4-ethyl-3-(thiophen-2-ylmethyl)-1H-imidazol-2-one.

Molecular Properties

Compound Name5-[(1S)-1-(benzenesulfonyl)ethyl]-4-ethyl-3-(thiophen-2-ylmethyl)-1H-imidazol-2-one
PubChem CID1482667
Molecular FormulaC18H20N2O3S2
Molecular Weight376.50 g/mol
Exact Mass376.09
IUPAC Name5-[(1S)-1-(benzenesulfonyl)ethyl]-4-ethyl-3-(thiophen-2-ylmethyl)-1H-imidazol-2-one
SMILESCCc1c([C@H](C)S(=O)(=O)c2ccccc2)[nH]c(=O)n1Cc1cccs1
InChIInChI=1S/C18H20N2O3S2/c1-3-16-17(13(2)25(22,23)15-9-5-4-6-10-15)19-18(21)20(16)12-14-8-7-11-24-14/h4-11,13H,3,12H2,1-2H3,(H,19,21)/t13-/m0/s1
InChIKeyVMVLEYKQRIODLO-ZDUSSCGKSA-N
XLogP3.38
TPSA71.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(1S)-1-(benzenesulfonyl)ethyl]-4-ethyl-3-(thiophen-2-ylmethyl)-1H-imidazol-2-one?
The IUPAC name of 5-[(1S)-1-(benzenesulfonyl)ethyl]-4-ethyl-3-(thiophen-2-ylmethyl)-1H-imidazol-2-one (CID 1482667) is 5-[(1S)-1-(benzenesulfonyl)ethyl]-4-ethyl-3-(thiophen-2-ylmethyl)-1H-imidazol-2-one.
What is the SMILES notation for 5-[(1S)-1-(benzenesulfonyl)ethyl]-4-ethyl-3-(thiophen-2-ylmethyl)-1H-imidazol-2-one?
The canonical SMILES for 5-[(1S)-1-(benzenesulfonyl)ethyl]-4-ethyl-3-(thiophen-2-ylmethyl)-1H-imidazol-2-one is CCc1c([C@H](C)S(=O)(=O)c2ccccc2)[nH]c(=O)n1Cc1cccs1.
What is the InChIKey of 5-[(1S)-1-(benzenesulfonyl)ethyl]-4-ethyl-3-(thiophen-2-ylmethyl)-1H-imidazol-2-one?
The InChIKey is VMVLEYKQRIODLO-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H20N2O3S2/c1-3-16-17(13(2)25(22,23)15-9-5-4-6-10-15)19-18(21)20(16)12-14-8-7-11-24-14/h4-11,13H,3,12H2,1-2H3,(H,19,21)/t13-/m0/s1.
What are the key properties of 5-[(1S)-1-(benzenesulfonyl)ethyl]-4-ethyl-3-(thiophen-2-ylmethyl)-1H-imidazol-2-one?
5-[(1S)-1-(benzenesulfonyl)ethyl]-4-ethyl-3-(thiophen-2-ylmethyl)-1H-imidazol-2-one has a molecular weight of 376.50 g/mol, XLogP of 3.38, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1S)-1-(benzenesulfonyl)ethyl]-4-ethyl-3-(thiophen-2-ylmethyl)-1H-imidazol-2-one is sourced from PubChem (CID 1482667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).