2-[(E)-3-cyclohexylprop-1-enyl]-3-(3-methylphenyl)sulfonyl-5H-pyrrolo[2,3-b]pyrazine

C22H25N3O2S — CID 141393864

IUPAC2-[(E)-3-cyclohexylprop-1-enyl]-3-(3-methylphenyl)sulfonyl-5H-pyrrolo[2,3-b]pyrazine
SMILESCc1cccc(S(=O)(=O)c2nc3[nH]ccc3nc2/C=C/CC2CCCCC2)c1
InChIInChI=1S/C22H25N3O2S/c1-16-7-5-11-18(15-16)28(26,27)22-20(24-19-13-14-23-21(19)25-22)12-6-10-17-8-3-2-4-9-17/h5-7,11-15,17H,2-4,8-10H2,1H3,(H,23,25)/b12-6+
InChIKeyOZHMNTSJNXBZKF-WUXMJOGZSA-N
MW395.53 g/mol
LogP5.08
Rot. Bonds5

About 2-[(E)-3-cyclohexylprop-1-enyl]-3-(3-methylphenyl)sulfonyl-5H-pyrrolo[2,3-b]pyrazine

2-[(E)-3-cyclohexylprop-1-enyl]-3-(3-methylphenyl)sulfonyl-5H-pyrrolo[2,3-b]pyrazine (PubChem CID 141393864) has the molecular formula C22H25N3O2S and a molecular weight of 395.53 g/mol. Its IUPAC name is 2-[(E)-3-cyclohexylprop-1-enyl]-3-(3-methylphenyl)sulfonyl-5H-pyrrolo[2,3-b]pyrazine.

Molecular Properties

Compound Name2-[(E)-3-cyclohexylprop-1-enyl]-3-(3-methylphenyl)sulfonyl-5H-pyrrolo[2,3-b]pyrazine
PubChem CID141393864
Molecular FormulaC22H25N3O2S
Molecular Weight395.53 g/mol
Exact Mass395.17
IUPAC Name2-[(E)-3-cyclohexylprop-1-enyl]-3-(3-methylphenyl)sulfonyl-5H-pyrrolo[2,3-b]pyrazine
SMILESCc1cccc(S(=O)(=O)c2nc3[nH]ccc3nc2/C=C/CC2CCCCC2)c1
InChIInChI=1S/C22H25N3O2S/c1-16-7-5-11-18(15-16)28(26,27)22-20(24-19-13-14-23-21(19)25-22)12-6-10-17-8-3-2-4-9-17/h5-7,11-15,17H,2-4,8-10H2,1H3,(H,23,25)/b12-6+
InChIKeyOZHMNTSJNXBZKF-WUXMJOGZSA-N
XLogP5.08
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.53
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(E)-3-cyclohexylprop-1-enyl]-3-(3-methylphenyl)sulfonyl-5H-pyrrolo[2,3-b]pyrazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[3-(3-methylphenyl)sulfonyl-5H-pyrrolo[2,3-b]pyrazin-2-yl]methanol
CID 141256016
2,2,2-trifluoro-1-[3-(3-methylphenyl)sulfonyl-5H-pyrrolo[2,3-b]pyrazin-2-yl]ethanamine;hydrochloride
CID 141383368
N-cyclooctyl-3-methylbenzenesulfonamide
CID 2497018
N-cycloheptylformamide;1-(3-methylphenyl)sulfonylpiperidine;molecular hydrogen
CID 143174092
2-bromo-7-iodo-3-(3-methylphenyl)sulfonyl-5H-pyrrolo[2,3-b]pyrazine
CID 175416588
2-[(3-methylphenyl)sulfonyl-(5H-pyrrolo[2,3-b]pyrazin-2-yl)amino]acetamide
CID 141383298
N-[(3-aminocyclohexyl)methyl]-3-methylbenzenesulfonamide
CID 106126034
[2-(3-methylphenyl)sulfonylcycloheptyl]methanamine
CID 64698481
5-cyclohexyl-3-[(3-methylphenyl)sulfonylmethyl]-1,2,4-oxadiazole
CID 146130161
N-cycloheptyl-2-[(3-methylphenyl)sulfonylamino]acetamide
CID 112995022
3-cyclohexyl-N-[4-[(3-methylphenyl)sulfonylmethyl]cyclohexyl]propanamide
CID 162215890
N-ethyl-2-(3-methylphenyl)sulfonylcyclohexan-1-amine
CID 64675273

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-3-cyclohexylprop-1-enyl]-3-(3-methylphenyl)sulfonyl-5H-pyrrolo[2,3-b]pyrazine?
The IUPAC name of 2-[(E)-3-cyclohexylprop-1-enyl]-3-(3-methylphenyl)sulfonyl-5H-pyrrolo[2,3-b]pyrazine (CID 141393864) is 2-[(E)-3-cyclohexylprop-1-enyl]-3-(3-methylphenyl)sulfonyl-5H-pyrrolo[2,3-b]pyrazine.
What is the SMILES notation for 2-[(E)-3-cyclohexylprop-1-enyl]-3-(3-methylphenyl)sulfonyl-5H-pyrrolo[2,3-b]pyrazine?
The canonical SMILES for 2-[(E)-3-cyclohexylprop-1-enyl]-3-(3-methylphenyl)sulfonyl-5H-pyrrolo[2,3-b]pyrazine is Cc1cccc(S(=O)(=O)c2nc3[nH]ccc3nc2/C=C/CC2CCCCC2)c1.
What is the InChIKey of 2-[(E)-3-cyclohexylprop-1-enyl]-3-(3-methylphenyl)sulfonyl-5H-pyrrolo[2,3-b]pyrazine?
The InChIKey is OZHMNTSJNXBZKF-WUXMJOGZSA-N. The full InChI is InChI=1S/C22H25N3O2S/c1-16-7-5-11-18(15-16)28(26,27)22-20(24-19-13-14-23-21(19)25-22)12-6-10-17-8-3-2-4-9-17/h5-7,11-15,17H,2-4,8-10H2,1H3,(H,23,25)/b12-6+.
What are the key properties of 2-[(E)-3-cyclohexylprop-1-enyl]-3-(3-methylphenyl)sulfonyl-5H-pyrrolo[2,3-b]pyrazine?
2-[(E)-3-cyclohexylprop-1-enyl]-3-(3-methylphenyl)sulfonyl-5H-pyrrolo[2,3-b]pyrazine has a molecular weight of 395.53 g/mol, XLogP of 5.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-3-cyclohexylprop-1-enyl]-3-(3-methylphenyl)sulfonyl-5H-pyrrolo[2,3-b]pyrazine is sourced from PubChem (CID 141393864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).