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

C23H23N5O5S — CID 21186221

IUPAC2-methylpropyl N-[[2-(4-cyanophenyl)-3-pyridinyl]sulfonyl]-N-(3-methoxy-5-methylpyrazin-2-yl)carbamate
SMILESCOc1nc(C)cnc1N(C(=O)OCC(C)C)S(=O)(=O)c1cccnc1-c1ccc(C#N)cc1
InChIInChI=1S/C23H23N5O5S/c1-15(2)14-33-23(29)28(21-22(32-4)27-16(3)13-26-21)34(30,31)19-6-5-11-25-20(19)18-9-7-17(12-24)8-10-18/h5-11,13,15H,14H2,1-4H3
InChIKeyVORRXGOIXNSUQG-UHFFFAOYSA-N
MW481.53 g/mol
LogP3.72
Rot. Bonds7

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

2-methylpropyl N-[[2-(4-cyanophenyl)-3-pyridinyl]sulfonyl]-N-(3-methoxy-5-methylpyrazin-2-yl)carbamate (PubChem CID 21186221) has the molecular formula C23H23N5O5S and a molecular weight of 481.53 g/mol. Its IUPAC name is 2-methylpropyl N-[[2-(4-cyanophenyl)-3-pyridinyl]sulfonyl]-N-(3-methoxy-5-methylpyrazin-2-yl)carbamate.

Molecular Properties

Compound Name2-methylpropyl N-[[2-(4-cyanophenyl)-3-pyridinyl]sulfonyl]-N-(3-methoxy-5-methylpyrazin-2-yl)carbamate
PubChem CID21186221
Molecular FormulaC23H23N5O5S
Molecular Weight481.53 g/mol
Exact Mass481.14
IUPAC Name2-methylpropyl N-[[2-(4-cyanophenyl)-3-pyridinyl]sulfonyl]-N-(3-methoxy-5-methylpyrazin-2-yl)carbamate
SMILESCOc1nc(C)cnc1N(C(=O)OCC(C)C)S(=O)(=O)c1cccnc1-c1ccc(C#N)cc1
InChIInChI=1S/C23H23N5O5S/c1-15(2)14-33-23(29)28(21-22(32-4)27-16(3)13-26-21)34(30,31)19-6-5-11-25-20(19)18-9-7-17(12-24)8-10-18/h5-11,13,15H,14H2,1-4H3
InChIKeyVORRXGOIXNSUQG-UHFFFAOYSA-N
XLogP3.72
TPSA135.37 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.53
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl N-[[2-(4-cyanophenyl)-3-pyridinyl]sulfonyl]-N-(3-methoxy-5-methylpyrazin-2-yl)carbamate?
The IUPAC name of 2-methylpropyl N-[[2-(4-cyanophenyl)-3-pyridinyl]sulfonyl]-N-(3-methoxy-5-methylpyrazin-2-yl)carbamate (CID 21186221) is 2-methylpropyl N-[[2-(4-cyanophenyl)-3-pyridinyl]sulfonyl]-N-(3-methoxy-5-methylpyrazin-2-yl)carbamate.
What is the SMILES notation for 2-methylpropyl N-[[2-(4-cyanophenyl)-3-pyridinyl]sulfonyl]-N-(3-methoxy-5-methylpyrazin-2-yl)carbamate?
The canonical SMILES for 2-methylpropyl N-[[2-(4-cyanophenyl)-3-pyridinyl]sulfonyl]-N-(3-methoxy-5-methylpyrazin-2-yl)carbamate is COc1nc(C)cnc1N(C(=O)OCC(C)C)S(=O)(=O)c1cccnc1-c1ccc(C#N)cc1.
What is the InChIKey of 2-methylpropyl N-[[2-(4-cyanophenyl)-3-pyridinyl]sulfonyl]-N-(3-methoxy-5-methylpyrazin-2-yl)carbamate?
The InChIKey is VORRXGOIXNSUQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O5S/c1-15(2)14-33-23(29)28(21-22(32-4)27-16(3)13-26-21)34(30,31)19-6-5-11-25-20(19)18-9-7-17(12-24)8-10-18/h5-11,13,15H,14H2,1-4H3.
What are the key properties of 2-methylpropyl N-[[2-(4-cyanophenyl)-3-pyridinyl]sulfonyl]-N-(3-methoxy-5-methylpyrazin-2-yl)carbamate?
2-methylpropyl N-[[2-(4-cyanophenyl)-3-pyridinyl]sulfonyl]-N-(3-methoxy-5-methylpyrazin-2-yl)carbamate has a molecular weight of 481.53 g/mol, XLogP of 3.72, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl N-[[2-(4-cyanophenyl)-3-pyridinyl]sulfonyl]-N-(3-methoxy-5-methylpyrazin-2-yl)carbamate is sourced from PubChem (CID 21186221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).