2-cyclohexyl-N-[4-(4-pyrazin-2-ylpiperazin-1-yl)sulfonylphenyl]acetamide

C22H29N5O3S — CID 42317816

IUPAC2-cyclohexyl-N-[4-(4-pyrazin-2-ylpiperazin-1-yl)sulfonylphenyl]acetamide
SMILESO=C(CC1CCCCC1)Nc1ccc(S(=O)(=O)N2CCN(c3cnccn3)CC2)cc1
InChIInChI=1S/C22H29N5O3S/c28-22(16-18-4-2-1-3-5-18)25-19-6-8-20(9-7-19)31(29,30)27-14-12-26(13-15-27)21-17-23-10-11-24-21/h6-11,17-18H,1-5,12-16H2,(H,25,28)
InChIKeyKQFRKOWAYBDOPW-UHFFFAOYSA-N
MW443.57 g/mol
LogP2.90
Rot. Bonds6

About 2-cyclohexyl-N-[4-(4-pyrazin-2-ylpiperazin-1-yl)sulfonylphenyl]acetamide

2-cyclohexyl-N-[4-(4-pyrazin-2-ylpiperazin-1-yl)sulfonylphenyl]acetamide (PubChem CID 42317816) has the molecular formula C22H29N5O3S and a molecular weight of 443.57 g/mol. Its IUPAC name is 2-cyclohexyl-N-[4-(4-pyrazin-2-ylpiperazin-1-yl)sulfonylphenyl]acetamide.

Molecular Properties

Compound Name2-cyclohexyl-N-[4-(4-pyrazin-2-ylpiperazin-1-yl)sulfonylphenyl]acetamide
PubChem CID42317816
Molecular FormulaC22H29N5O3S
Molecular Weight443.57 g/mol
Exact Mass443.20
IUPAC Name2-cyclohexyl-N-[4-(4-pyrazin-2-ylpiperazin-1-yl)sulfonylphenyl]acetamide
SMILESO=C(CC1CCCCC1)Nc1ccc(S(=O)(=O)N2CCN(c3cnccn3)CC2)cc1
InChIInChI=1S/C22H29N5O3S/c28-22(16-18-4-2-1-3-5-18)25-19-6-8-20(9-7-19)31(29,30)27-14-12-26(13-15-27)21-17-23-10-11-24-21/h6-11,17-18H,1-5,12-16H2,(H,25,28)
InChIKeyKQFRKOWAYBDOPW-UHFFFAOYSA-N
XLogP2.90
TPSA95.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.57
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-chloro-N-[4-(4-pyrazin-2-ylpiperazin-1-yl)sulfonylphenyl]acetamide
CID 42317830
N-[4-(4-pyrazin-2-ylpiperazin-1-yl)sulfonylphenyl]butanamide
CID 42317786
2-phenyl-N-[4-(4-pyrazin-2-ylpiperazin-1-yl)sulfonylphenyl]acetamide
CID 42318039
2-cyclopentyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 7926292
2-(4-ethoxyphenyl)-N-[4-(4-pyrazin-2-ylpiperazin-1-yl)sulfonylphenyl]acetamide
CID 42318049
2-propyl-N-[4-(4-pyrazin-2-ylpiperazin-1-yl)sulfonylphenyl]pentanamide
CID 42317806
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
3,4-dimethyl-N-[4-(4-pyrazin-2-ylpiperazin-1-yl)sulfonylphenyl]benzamide
CID 42317857
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

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-N-[4-(4-pyrazin-2-ylpiperazin-1-yl)sulfonylphenyl]acetamide?
The IUPAC name of 2-cyclohexyl-N-[4-(4-pyrazin-2-ylpiperazin-1-yl)sulfonylphenyl]acetamide (CID 42317816) is 2-cyclohexyl-N-[4-(4-pyrazin-2-ylpiperazin-1-yl)sulfonylphenyl]acetamide.
What is the SMILES notation for 2-cyclohexyl-N-[4-(4-pyrazin-2-ylpiperazin-1-yl)sulfonylphenyl]acetamide?
The canonical SMILES for 2-cyclohexyl-N-[4-(4-pyrazin-2-ylpiperazin-1-yl)sulfonylphenyl]acetamide is O=C(CC1CCCCC1)Nc1ccc(S(=O)(=O)N2CCN(c3cnccn3)CC2)cc1.
What is the InChIKey of 2-cyclohexyl-N-[4-(4-pyrazin-2-ylpiperazin-1-yl)sulfonylphenyl]acetamide?
The InChIKey is KQFRKOWAYBDOPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5O3S/c28-22(16-18-4-2-1-3-5-18)25-19-6-8-20(9-7-19)31(29,30)27-14-12-26(13-15-27)21-17-23-10-11-24-21/h6-11,17-18H,1-5,12-16H2,(H,25,28).
What are the key properties of 2-cyclohexyl-N-[4-(4-pyrazin-2-ylpiperazin-1-yl)sulfonylphenyl]acetamide?
2-cyclohexyl-N-[4-(4-pyrazin-2-ylpiperazin-1-yl)sulfonylphenyl]acetamide has a molecular weight of 443.57 g/mol, XLogP of 2.90, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-N-[4-(4-pyrazin-2-ylpiperazin-1-yl)sulfonylphenyl]acetamide is sourced from PubChem (CID 42317816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).