2-propyl-N-[4-(4-pyrazin-2-ylpiperazin-1-yl)sulfonylphenyl]pentanamide

C22H31N5O3S — CID 42317806

IUPAC2-propyl-N-[4-(4-pyrazin-2-ylpiperazin-1-yl)sulfonylphenyl]pentanamide
SMILESCCCC(CCC)C(=O)Nc1ccc(S(=O)(=O)N2CCN(c3cnccn3)CC2)cc1
InChIInChI=1S/C22H31N5O3S/c1-3-5-18(6-4-2)22(28)25-19-7-9-20(10-8-19)31(29,30)27-15-13-26(14-16-27)21-17-23-11-12-24-21/h7-12,17-18H,3-6,13-16H2,1-2H3,(H,25,28)
InChIKeyCLYWWDKSGQMLQZ-UHFFFAOYSA-N
MW445.59 g/mol
LogP3.14
Rot. Bonds9

About 2-propyl-N-[4-(4-pyrazin-2-ylpiperazin-1-yl)sulfonylphenyl]pentanamide

2-propyl-N-[4-(4-pyrazin-2-ylpiperazin-1-yl)sulfonylphenyl]pentanamide (PubChem CID 42317806) has the molecular formula C22H31N5O3S and a molecular weight of 445.59 g/mol. Its IUPAC name is 2-propyl-N-[4-(4-pyrazin-2-ylpiperazin-1-yl)sulfonylphenyl]pentanamide.

Molecular Properties

Compound Name2-propyl-N-[4-(4-pyrazin-2-ylpiperazin-1-yl)sulfonylphenyl]pentanamide
PubChem CID42317806
Molecular FormulaC22H31N5O3S
Molecular Weight445.59 g/mol
Exact Mass445.21
IUPAC Name2-propyl-N-[4-(4-pyrazin-2-ylpiperazin-1-yl)sulfonylphenyl]pentanamide
SMILESCCCC(CCC)C(=O)Nc1ccc(S(=O)(=O)N2CCN(c3cnccn3)CC2)cc1
InChIInChI=1S/C22H31N5O3S/c1-3-5-18(6-4-2)22(28)25-19-7-9-20(10-8-19)31(29,30)27-15-13-26(14-16-27)21-17-23-11-12-24-21/h7-12,17-18H,3-6,13-16H2,1-2H3,(H,25,28)
InChIKeyCLYWWDKSGQMLQZ-UHFFFAOYSA-N
XLogP3.14
TPSA95.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.59
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(4-pyrazin-2-ylpiperazin-1-yl)sulfonylphenyl]butanamide
CID 42317786
2-chloro-N-[4-(4-pyrazin-2-ylpiperazin-1-yl)sulfonylphenyl]acetamide
CID 42317830
2-phenyl-N-[4-(4-pyrazin-2-ylpiperazin-1-yl)sulfonylphenyl]acetamide
CID 42318039
2-(4-ethoxyphenyl)-N-[4-(4-pyrazin-2-ylpiperazin-1-yl)sulfonylphenyl]acetamide
CID 42318049
2-cyclohexyl-N-[4-(4-pyrazin-2-ylpiperazin-1-yl)sulfonylphenyl]acetamide
CID 42317816
3,4-dimethyl-N-[4-(4-pyrazin-2-ylpiperazin-1-yl)sulfonylphenyl]benzamide
CID 42317857
2-(2-methoxyphenoxy)-N-[4-(4-pyrazin-2-ylpiperazin-1-yl)sulfonylphenyl]acetamide
CID 42318009
2-fluoro-N-[4-(4-pyrazin-2-ylpiperazin-1-yl)sulfonylphenyl]benzamide
CID 42317902
2,4-dichloro-N-[4-(4-pyrazin-2-ylpiperazin-1-yl)sulfonylphenyl]benzamide
CID 42317930
N-[4-(4-pyrazin-2-ylpiperazin-1-yl)sulfonylphenyl]naphthalene-2-carboxamide
CID 42317966
2-(difluoromethylsulfanyl)-N-[4-(4-pyrazin-2-ylpiperazin-1-yl)sulfonylphenyl]benzamide
CID 42318251
ethyl 4-[4-(4-pyrazin-2-ylpiperazine-1-carbonyl)piperidin-1-yl]sulfonylbenzoate
CID 42022539

Frequently Asked Questions

What is the IUPAC name of 2-propyl-N-[4-(4-pyrazin-2-ylpiperazin-1-yl)sulfonylphenyl]pentanamide?
The IUPAC name of 2-propyl-N-[4-(4-pyrazin-2-ylpiperazin-1-yl)sulfonylphenyl]pentanamide (CID 42317806) is 2-propyl-N-[4-(4-pyrazin-2-ylpiperazin-1-yl)sulfonylphenyl]pentanamide.
What is the SMILES notation for 2-propyl-N-[4-(4-pyrazin-2-ylpiperazin-1-yl)sulfonylphenyl]pentanamide?
The canonical SMILES for 2-propyl-N-[4-(4-pyrazin-2-ylpiperazin-1-yl)sulfonylphenyl]pentanamide is CCCC(CCC)C(=O)Nc1ccc(S(=O)(=O)N2CCN(c3cnccn3)CC2)cc1.
What is the InChIKey of 2-propyl-N-[4-(4-pyrazin-2-ylpiperazin-1-yl)sulfonylphenyl]pentanamide?
The InChIKey is CLYWWDKSGQMLQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N5O3S/c1-3-5-18(6-4-2)22(28)25-19-7-9-20(10-8-19)31(29,30)27-15-13-26(14-16-27)21-17-23-11-12-24-21/h7-12,17-18H,3-6,13-16H2,1-2H3,(H,25,28).
What are the key properties of 2-propyl-N-[4-(4-pyrazin-2-ylpiperazin-1-yl)sulfonylphenyl]pentanamide?
2-propyl-N-[4-(4-pyrazin-2-ylpiperazin-1-yl)sulfonylphenyl]pentanamide has a molecular weight of 445.59 g/mol, XLogP of 3.14, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propyl-N-[4-(4-pyrazin-2-ylpiperazin-1-yl)sulfonylphenyl]pentanamide is sourced from PubChem (CID 42317806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).