2-methylpropyl N-[[2-(4-ethenylphenyl)-3-pyridinyl]sulfonyl]-N-(3-methoxy-5-methylpyrazin-2-yl)carbamate

C24H26N4O5S — CID 21186227

IUPAC2-methylpropyl N-[[2-(4-ethenylphenyl)-3-pyridinyl]sulfonyl]-N-(3-methoxy-5-methylpyrazin-2-yl)carbamate
SMILESC=Cc1ccc(-c2ncccc2S(=O)(=O)N(C(=O)OCC(C)C)c2ncc(C)nc2OC)cc1
InChIInChI=1S/C24H26N4O5S/c1-6-18-9-11-19(12-10-18)21-20(8-7-13-25-21)34(30,31)28(24(29)33-15-16(2)3)22-23(32-5)27-17(4)14-26-22/h6-14,16H,1,15H2,2-5H3
InChIKeyHVYMMJLISQWUHA-UHFFFAOYSA-N
MW482.56 g/mol
LogP4.49
Rot. Bonds8

About 2-methylpropyl N-[[2-(4-ethenylphenyl)-3-pyridinyl]sulfonyl]-N-(3-methoxy-5-methylpyrazin-2-yl)carbamate

2-methylpropyl N-[[2-(4-ethenylphenyl)-3-pyridinyl]sulfonyl]-N-(3-methoxy-5-methylpyrazin-2-yl)carbamate (PubChem CID 21186227) has the molecular formula C24H26N4O5S and a molecular weight of 482.56 g/mol. Its IUPAC name is 2-methylpropyl N-[[2-(4-ethenylphenyl)-3-pyridinyl]sulfonyl]-N-(3-methoxy-5-methylpyrazin-2-yl)carbamate.

Molecular Properties

Compound Name2-methylpropyl N-[[2-(4-ethenylphenyl)-3-pyridinyl]sulfonyl]-N-(3-methoxy-5-methylpyrazin-2-yl)carbamate
PubChem CID21186227
Molecular FormulaC24H26N4O5S
Molecular Weight482.56 g/mol
Exact Mass482.16
IUPAC Name2-methylpropyl N-[[2-(4-ethenylphenyl)-3-pyridinyl]sulfonyl]-N-(3-methoxy-5-methylpyrazin-2-yl)carbamate
SMILESC=Cc1ccc(-c2ncccc2S(=O)(=O)N(C(=O)OCC(C)C)c2ncc(C)nc2OC)cc1
InChIInChI=1S/C24H26N4O5S/c1-6-18-9-11-19(12-10-18)21-20(8-7-13-25-21)34(30,31)28(24(29)33-15-16(2)3)22-23(32-5)27-17(4)14-26-22/h6-14,16H,1,15H2,2-5H3
InChIKeyHVYMMJLISQWUHA-UHFFFAOYSA-N
XLogP4.49
TPSA111.58 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.56
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl N-[[2-(4-ethenylphenyl)-3-pyridinyl]sulfonyl]-N-(3-methoxy-5-methylpyrazin-2-yl)carbamate?
The IUPAC name of 2-methylpropyl N-[[2-(4-ethenylphenyl)-3-pyridinyl]sulfonyl]-N-(3-methoxy-5-methylpyrazin-2-yl)carbamate (CID 21186227) is 2-methylpropyl N-[[2-(4-ethenylphenyl)-3-pyridinyl]sulfonyl]-N-(3-methoxy-5-methylpyrazin-2-yl)carbamate.
What is the SMILES notation for 2-methylpropyl N-[[2-(4-ethenylphenyl)-3-pyridinyl]sulfonyl]-N-(3-methoxy-5-methylpyrazin-2-yl)carbamate?
The canonical SMILES for 2-methylpropyl N-[[2-(4-ethenylphenyl)-3-pyridinyl]sulfonyl]-N-(3-methoxy-5-methylpyrazin-2-yl)carbamate is C=Cc1ccc(-c2ncccc2S(=O)(=O)N(C(=O)OCC(C)C)c2ncc(C)nc2OC)cc1.
What is the InChIKey of 2-methylpropyl N-[[2-(4-ethenylphenyl)-3-pyridinyl]sulfonyl]-N-(3-methoxy-5-methylpyrazin-2-yl)carbamate?
The InChIKey is HVYMMJLISQWUHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O5S/c1-6-18-9-11-19(12-10-18)21-20(8-7-13-25-21)34(30,31)28(24(29)33-15-16(2)3)22-23(32-5)27-17(4)14-26-22/h6-14,16H,1,15H2,2-5H3.
What are the key properties of 2-methylpropyl N-[[2-(4-ethenylphenyl)-3-pyridinyl]sulfonyl]-N-(3-methoxy-5-methylpyrazin-2-yl)carbamate?
2-methylpropyl N-[[2-(4-ethenylphenyl)-3-pyridinyl]sulfonyl]-N-(3-methoxy-5-methylpyrazin-2-yl)carbamate has a molecular weight of 482.56 g/mol, XLogP of 4.49, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl N-[[2-(4-ethenylphenyl)-3-pyridinyl]sulfonyl]-N-(3-methoxy-5-methylpyrazin-2-yl)carbamate is sourced from PubChem (CID 21186227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).