pyridin-2-ylmethyl N-[2-methyl-4-[(4S)-2-oxo-4-phenylimidazolidin-1-yl]sulfonylphenyl]carbamate

C23H22N4O5S — CID 142664073

IUPACpyridin-2-ylmethyl N-[2-methyl-4-[(4S)-2-oxo-4-phenylimidazolidin-1-yl]sulfonylphenyl]carbamate
SMILESCc1cc(S(=O)(=O)N2C[C@H](c3ccccc3)NC2=O)ccc1NC(=O)OCc1ccccn1
InChIInChI=1S/C23H22N4O5S/c1-16-13-19(10-11-20(16)26-23(29)32-15-18-9-5-6-12-24-18)33(30,31)27-14-21(25-22(27)28)17-7-3-2-4-8-17/h2-13,21H,14-15H2,1H3,(H,25,28)(H,26,29)/t21-/m1/s1
InChIKeyNNUPIGZQXDXCKP-OAQYLSRUSA-N
MW466.52 g/mol
LogP3.59
Rot. Bonds6

About pyridin-2-ylmethyl N-[2-methyl-4-[(4S)-2-oxo-4-phenylimidazolidin-1-yl]sulfonylphenyl]carbamate

pyridin-2-ylmethyl N-[2-methyl-4-[(4S)-2-oxo-4-phenylimidazolidin-1-yl]sulfonylphenyl]carbamate (PubChem CID 142664073) has the molecular formula C23H22N4O5S and a molecular weight of 466.52 g/mol. Its IUPAC name is pyridin-2-ylmethyl N-[2-methyl-4-[(4S)-2-oxo-4-phenylimidazolidin-1-yl]sulfonylphenyl]carbamate.

Molecular Properties

Compound Namepyridin-2-ylmethyl N-[2-methyl-4-[(4S)-2-oxo-4-phenylimidazolidin-1-yl]sulfonylphenyl]carbamate
PubChem CID142664073
Molecular FormulaC23H22N4O5S
Molecular Weight466.52 g/mol
Exact Mass466.13
IUPAC Namepyridin-2-ylmethyl N-[2-methyl-4-[(4S)-2-oxo-4-phenylimidazolidin-1-yl]sulfonylphenyl]carbamate
SMILESCc1cc(S(=O)(=O)N2C[C@H](c3ccccc3)NC2=O)ccc1NC(=O)OCc1ccccn1
InChIInChI=1S/C23H22N4O5S/c1-16-13-19(10-11-20(16)26-23(29)32-15-18-9-5-6-12-24-18)33(30,31)27-14-21(25-22(27)28)17-7-3-2-4-8-17/h2-13,21H,14-15H2,1H3,(H,25,28)(H,26,29)/t21-/m1/s1
InChIKeyNNUPIGZQXDXCKP-OAQYLSRUSA-N
XLogP3.59
TPSA117.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.52
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of pyridin-2-ylmethyl N-[2-methyl-4-[(4S)-2-oxo-4-phenylimidazolidin-1-yl]sulfonylphenyl]carbamate?
The IUPAC name of pyridin-2-ylmethyl N-[2-methyl-4-[(4S)-2-oxo-4-phenylimidazolidin-1-yl]sulfonylphenyl]carbamate (CID 142664073) is pyridin-2-ylmethyl N-[2-methyl-4-[(4S)-2-oxo-4-phenylimidazolidin-1-yl]sulfonylphenyl]carbamate.
What is the SMILES notation for pyridin-2-ylmethyl N-[2-methyl-4-[(4S)-2-oxo-4-phenylimidazolidin-1-yl]sulfonylphenyl]carbamate?
The canonical SMILES for pyridin-2-ylmethyl N-[2-methyl-4-[(4S)-2-oxo-4-phenylimidazolidin-1-yl]sulfonylphenyl]carbamate is Cc1cc(S(=O)(=O)N2C[C@H](c3ccccc3)NC2=O)ccc1NC(=O)OCc1ccccn1.
What is the InChIKey of pyridin-2-ylmethyl N-[2-methyl-4-[(4S)-2-oxo-4-phenylimidazolidin-1-yl]sulfonylphenyl]carbamate?
The InChIKey is NNUPIGZQXDXCKP-OAQYLSRUSA-N. The full InChI is InChI=1S/C23H22N4O5S/c1-16-13-19(10-11-20(16)26-23(29)32-15-18-9-5-6-12-24-18)33(30,31)27-14-21(25-22(27)28)17-7-3-2-4-8-17/h2-13,21H,14-15H2,1H3,(H,25,28)(H,26,29)/t21-/m1/s1.
What are the key properties of pyridin-2-ylmethyl N-[2-methyl-4-[(4S)-2-oxo-4-phenylimidazolidin-1-yl]sulfonylphenyl]carbamate?
pyridin-2-ylmethyl N-[2-methyl-4-[(4S)-2-oxo-4-phenylimidazolidin-1-yl]sulfonylphenyl]carbamate has a molecular weight of 466.52 g/mol, XLogP of 3.59, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-2-ylmethyl N-[2-methyl-4-[(4S)-2-oxo-4-phenylimidazolidin-1-yl]sulfonylphenyl]carbamate is sourced from PubChem (CID 142664073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).