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

C18H18FN3O5S — CID 57403196

IUPACethyl N-[2-fluoro-4-[(4S)-2-oxo-4-phenylimidazolidin-1-yl]sulfonylphenyl]carbamate
SMILESCCOC(=O)Nc1ccc(S(=O)(=O)N2C[C@H](c3ccccc3)NC2=O)cc1F
InChIInChI=1S/C18H18FN3O5S/c1-2-27-18(24)21-15-9-8-13(10-14(15)19)28(25,26)22-11-16(20-17(22)23)12-6-4-3-5-7-12/h3-10,16H,2,11H2,1H3,(H,20,23)(H,21,24)/t16-/m1/s1
InChIKeyJJPXAHVOBVPAIR-MRXNPFEDSA-N
MW407.42 g/mol
LogP2.85
Rot. Bonds5

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

ethyl N-[2-fluoro-4-[(4S)-2-oxo-4-phenylimidazolidin-1-yl]sulfonylphenyl]carbamate (PubChem CID 57403196) has the molecular formula C18H18FN3O5S and a molecular weight of 407.42 g/mol. Its IUPAC name is ethyl N-[2-fluoro-4-[(4S)-2-oxo-4-phenylimidazolidin-1-yl]sulfonylphenyl]carbamate.

Molecular Properties

Compound Nameethyl N-[2-fluoro-4-[(4S)-2-oxo-4-phenylimidazolidin-1-yl]sulfonylphenyl]carbamate
PubChem CID57403196
Molecular FormulaC18H18FN3O5S
Molecular Weight407.42 g/mol
Exact Mass407.10
IUPAC Nameethyl N-[2-fluoro-4-[(4S)-2-oxo-4-phenylimidazolidin-1-yl]sulfonylphenyl]carbamate
SMILESCCOC(=O)Nc1ccc(S(=O)(=O)N2C[C@H](c3ccccc3)NC2=O)cc1F
InChIInChI=1S/C18H18FN3O5S/c1-2-27-18(24)21-15-9-8-13(10-14(15)19)28(25,26)22-11-16(20-17(22)23)12-6-4-3-5-7-12/h3-10,16H,2,11H2,1H3,(H,20,23)(H,21,24)/t16-/m1/s1
InChIKeyJJPXAHVOBVPAIR-MRXNPFEDSA-N
XLogP2.85
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.42
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl N-[2-fluoro-4-[(4S)-2-oxo-4-phenylimidazolidin-1-yl]sulfonylphenyl]carbamate?
The IUPAC name of ethyl N-[2-fluoro-4-[(4S)-2-oxo-4-phenylimidazolidin-1-yl]sulfonylphenyl]carbamate (CID 57403196) is ethyl N-[2-fluoro-4-[(4S)-2-oxo-4-phenylimidazolidin-1-yl]sulfonylphenyl]carbamate.
What is the SMILES notation for ethyl N-[2-fluoro-4-[(4S)-2-oxo-4-phenylimidazolidin-1-yl]sulfonylphenyl]carbamate?
The canonical SMILES for ethyl N-[2-fluoro-4-[(4S)-2-oxo-4-phenylimidazolidin-1-yl]sulfonylphenyl]carbamate is CCOC(=O)Nc1ccc(S(=O)(=O)N2C[C@H](c3ccccc3)NC2=O)cc1F.
What is the InChIKey of ethyl N-[2-fluoro-4-[(4S)-2-oxo-4-phenylimidazolidin-1-yl]sulfonylphenyl]carbamate?
The InChIKey is JJPXAHVOBVPAIR-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H18FN3O5S/c1-2-27-18(24)21-15-9-8-13(10-14(15)19)28(25,26)22-11-16(20-17(22)23)12-6-4-3-5-7-12/h3-10,16H,2,11H2,1H3,(H,20,23)(H,21,24)/t16-/m1/s1.
What are the key properties of ethyl N-[2-fluoro-4-[(4S)-2-oxo-4-phenylimidazolidin-1-yl]sulfonylphenyl]carbamate?
ethyl N-[2-fluoro-4-[(4S)-2-oxo-4-phenylimidazolidin-1-yl]sulfonylphenyl]carbamate has a molecular weight of 407.42 g/mol, XLogP of 2.85, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[2-fluoro-4-[(4S)-2-oxo-4-phenylimidazolidin-1-yl]sulfonylphenyl]carbamate is sourced from PubChem (CID 57403196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).