ethyl N-[2,6-dimethyl-4-[(4S)-2-oxo-4-phenylimidazolidin-1-yl]sulfonylphenyl]carbamate

C20H23N3O5S — CID 57394485

IUPACethyl N-[2,6-dimethyl-4-[(4S)-2-oxo-4-phenylimidazolidin-1-yl]sulfonylphenyl]carbamate
SMILESCCOC(=O)Nc1c(C)cc(S(=O)(=O)N2C[C@H](c3ccccc3)NC2=O)cc1C
InChIInChI=1S/C20H23N3O5S/c1-4-28-20(25)22-18-13(2)10-16(11-14(18)3)29(26,27)23-12-17(21-19(23)24)15-8-6-5-7-9-15/h5-11,17H,4,12H2,1-3H3,(H,21,24)(H,22,25)/t17-/m1/s1
InChIKeyHCHYBBCGSQSDRN-QGZVFWFLSA-N
MW417.49 g/mol
LogP3.33
Rot. Bonds5

About ethyl N-[2,6-dimethyl-4-[(4S)-2-oxo-4-phenylimidazolidin-1-yl]sulfonylphenyl]carbamate

ethyl N-[2,6-dimethyl-4-[(4S)-2-oxo-4-phenylimidazolidin-1-yl]sulfonylphenyl]carbamate (PubChem CID 57394485) has the molecular formula C20H23N3O5S and a molecular weight of 417.49 g/mol. Its IUPAC name is ethyl N-[2,6-dimethyl-4-[(4S)-2-oxo-4-phenylimidazolidin-1-yl]sulfonylphenyl]carbamate.

Molecular Properties

Compound Nameethyl N-[2,6-dimethyl-4-[(4S)-2-oxo-4-phenylimidazolidin-1-yl]sulfonylphenyl]carbamate
PubChem CID57394485
Molecular FormulaC20H23N3O5S
Molecular Weight417.49 g/mol
Exact Mass417.14
IUPAC Nameethyl N-[2,6-dimethyl-4-[(4S)-2-oxo-4-phenylimidazolidin-1-yl]sulfonylphenyl]carbamate
SMILESCCOC(=O)Nc1c(C)cc(S(=O)(=O)N2C[C@H](c3ccccc3)NC2=O)cc1C
InChIInChI=1S/C20H23N3O5S/c1-4-28-20(25)22-18-13(2)10-16(11-14(18)3)29(26,27)23-12-17(21-19(23)24)15-8-6-5-7-9-15/h5-11,17H,4,12H2,1-3H3,(H,21,24)(H,22,25)/t17-/m1/s1
InChIKeyHCHYBBCGSQSDRN-QGZVFWFLSA-N
XLogP3.33
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.49
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl N-[2,6-dimethyl-4-[(4S)-2-oxo-4-phenylimidazolidin-1-yl]sulfonylphenyl]carbamate?
The IUPAC name of ethyl N-[2,6-dimethyl-4-[(4S)-2-oxo-4-phenylimidazolidin-1-yl]sulfonylphenyl]carbamate (CID 57394485) is ethyl N-[2,6-dimethyl-4-[(4S)-2-oxo-4-phenylimidazolidin-1-yl]sulfonylphenyl]carbamate.
What is the SMILES notation for ethyl N-[2,6-dimethyl-4-[(4S)-2-oxo-4-phenylimidazolidin-1-yl]sulfonylphenyl]carbamate?
The canonical SMILES for ethyl N-[2,6-dimethyl-4-[(4S)-2-oxo-4-phenylimidazolidin-1-yl]sulfonylphenyl]carbamate is CCOC(=O)Nc1c(C)cc(S(=O)(=O)N2C[C@H](c3ccccc3)NC2=O)cc1C.
What is the InChIKey of ethyl N-[2,6-dimethyl-4-[(4S)-2-oxo-4-phenylimidazolidin-1-yl]sulfonylphenyl]carbamate?
The InChIKey is HCHYBBCGSQSDRN-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H23N3O5S/c1-4-28-20(25)22-18-13(2)10-16(11-14(18)3)29(26,27)23-12-17(21-19(23)24)15-8-6-5-7-9-15/h5-11,17H,4,12H2,1-3H3,(H,21,24)(H,22,25)/t17-/m1/s1.
What are the key properties of ethyl N-[2,6-dimethyl-4-[(4S)-2-oxo-4-phenylimidazolidin-1-yl]sulfonylphenyl]carbamate?
ethyl N-[2,6-dimethyl-4-[(4S)-2-oxo-4-phenylimidazolidin-1-yl]sulfonylphenyl]carbamate has a molecular weight of 417.49 g/mol, XLogP of 3.33, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[2,6-dimethyl-4-[(4S)-2-oxo-4-phenylimidazolidin-1-yl]sulfonylphenyl]carbamate is sourced from PubChem (CID 57394485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).