2-(4-cyclobutylsulfonylphenyl)-3-(oxan-4-yl)-N-pyrazin-2-ylpropanamide

C22H27N3O4S — CID 21093931

IUPAC2-(4-cyclobutylsulfonylphenyl)-3-(oxan-4-yl)-N-pyrazin-2-ylpropanamide
SMILESO=C(Nc1cnccn1)C(CC1CCOCC1)c1ccc(S(=O)(=O)C2CCC2)cc1
InChIInChI=1S/C22H27N3O4S/c26-22(25-21-15-23-10-11-24-21)20(14-16-8-12-29-13-9-16)17-4-6-19(7-5-17)30(27,28)18-2-1-3-18/h4-7,10-11,15-16,18,20H,1-3,8-9,12-14H2,(H,24,25,26)
InChIKeyNIDLAMGLZQRQLJ-UHFFFAOYSA-N
MW429.54 g/mol
LogP3.34
Rot. Bonds7

About 2-(4-cyclobutylsulfonylphenyl)-3-(oxan-4-yl)-N-pyrazin-2-ylpropanamide

2-(4-cyclobutylsulfonylphenyl)-3-(oxan-4-yl)-N-pyrazin-2-ylpropanamide (PubChem CID 21093931) has the molecular formula C22H27N3O4S and a molecular weight of 429.54 g/mol. Its IUPAC name is 2-(4-cyclobutylsulfonylphenyl)-3-(oxan-4-yl)-N-pyrazin-2-ylpropanamide.

Molecular Properties

Compound Name2-(4-cyclobutylsulfonylphenyl)-3-(oxan-4-yl)-N-pyrazin-2-ylpropanamide
PubChem CID21093931
Molecular FormulaC22H27N3O4S
Molecular Weight429.54 g/mol
Exact Mass429.17
IUPAC Name2-(4-cyclobutylsulfonylphenyl)-3-(oxan-4-yl)-N-pyrazin-2-ylpropanamide
SMILESO=C(Nc1cnccn1)C(CC1CCOCC1)c1ccc(S(=O)(=O)C2CCC2)cc1
InChIInChI=1S/C22H27N3O4S/c26-22(25-21-15-23-10-11-24-21)20(14-16-8-12-29-13-9-16)17-4-6-19(7-5-17)30(27,28)18-2-1-3-18/h4-7,10-11,15-16,18,20H,1-3,8-9,12-14H2,(H,24,25,26)
InChIKeyNIDLAMGLZQRQLJ-UHFFFAOYSA-N
XLogP3.34
TPSA98.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.54
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclobutylsulfonylphenyl)-3-(oxan-4-yl)-N-pyrazin-2-ylpropanamide?
The IUPAC name of 2-(4-cyclobutylsulfonylphenyl)-3-(oxan-4-yl)-N-pyrazin-2-ylpropanamide (CID 21093931) is 2-(4-cyclobutylsulfonylphenyl)-3-(oxan-4-yl)-N-pyrazin-2-ylpropanamide.
What is the SMILES notation for 2-(4-cyclobutylsulfonylphenyl)-3-(oxan-4-yl)-N-pyrazin-2-ylpropanamide?
The canonical SMILES for 2-(4-cyclobutylsulfonylphenyl)-3-(oxan-4-yl)-N-pyrazin-2-ylpropanamide is O=C(Nc1cnccn1)C(CC1CCOCC1)c1ccc(S(=O)(=O)C2CCC2)cc1.
What is the InChIKey of 2-(4-cyclobutylsulfonylphenyl)-3-(oxan-4-yl)-N-pyrazin-2-ylpropanamide?
The InChIKey is NIDLAMGLZQRQLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O4S/c26-22(25-21-15-23-10-11-24-21)20(14-16-8-12-29-13-9-16)17-4-6-19(7-5-17)30(27,28)18-2-1-3-18/h4-7,10-11,15-16,18,20H,1-3,8-9,12-14H2,(H,24,25,26).
What are the key properties of 2-(4-cyclobutylsulfonylphenyl)-3-(oxan-4-yl)-N-pyrazin-2-ylpropanamide?
2-(4-cyclobutylsulfonylphenyl)-3-(oxan-4-yl)-N-pyrazin-2-ylpropanamide has a molecular weight of 429.54 g/mol, XLogP of 3.34, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclobutylsulfonylphenyl)-3-(oxan-4-yl)-N-pyrazin-2-ylpropanamide is sourced from PubChem (CID 21093931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).