3-(2,2-dimethylpropanoylamino)-N-[1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-4-yl]pyrazine-2-carboxamide

C22H28FN5O4S — CID 42866734

IUPAC3-(2,2-dimethylpropanoylamino)-N-[1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-4-yl]pyrazine-2-carboxamide
SMILESCc1cc(F)ccc1S(=O)(=O)N1CCC(NC(=O)c2nccnc2NC(=O)C(C)(C)C)CC1
InChIInChI=1S/C22H28FN5O4S/c1-14-13-15(23)5-6-17(14)33(31,32)28-11-7-16(8-12-28)26-20(29)18-19(25-10-9-24-18)27-21(30)22(2,3)4/h5-6,9-10,13,16H,7-8,11-12H2,1-4H3,(H,26,29)(H,25,27,30)
InChIKeyXUNUWLIMHRESGG-UHFFFAOYSA-N
MW477.56 g/mol
LogP2.49
Rot. Bonds5

About 3-(2,2-dimethylpropanoylamino)-N-[1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-4-yl]pyrazine-2-carboxamide

3-(2,2-dimethylpropanoylamino)-N-[1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-4-yl]pyrazine-2-carboxamide (PubChem CID 42866734) has the molecular formula C22H28FN5O4S and a molecular weight of 477.56 g/mol. Its IUPAC name is 3-(2,2-dimethylpropanoylamino)-N-[1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-4-yl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-(2,2-dimethylpropanoylamino)-N-[1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-4-yl]pyrazine-2-carboxamide
PubChem CID42866734
Molecular FormulaC22H28FN5O4S
Molecular Weight477.56 g/mol
Exact Mass477.18
IUPAC Name3-(2,2-dimethylpropanoylamino)-N-[1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-4-yl]pyrazine-2-carboxamide
SMILESCc1cc(F)ccc1S(=O)(=O)N1CCC(NC(=O)c2nccnc2NC(=O)C(C)(C)C)CC1
InChIInChI=1S/C22H28FN5O4S/c1-14-13-15(23)5-6-17(14)33(31,32)28-11-7-16(8-12-28)26-20(29)18-19(25-10-9-24-18)27-21(30)22(2,3)4/h5-6,9-10,13,16H,7-8,11-12H2,1-4H3,(H,26,29)(H,25,27,30)
InChIKeyXUNUWLIMHRESGG-UHFFFAOYSA-N
XLogP2.49
TPSA121.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.56
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-(2,2-dimethylpropanoylamino)-N-[1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-4-yl]pyrazine-2-carboxamide 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

4-fluoro-N-[1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-4-yl]benzamide
CID 35400886
N-[1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-4-yl]propanamide
CID 110823232
methyl 4-[[3-(2,2-dimethylpropanoylamino)pyrazine-2-carbonyl]amino]piperidine-1-carboxylate
CID 42853977
N-[1-(2,4-dimethylphenyl)sulfonylpiperidin-4-yl]-4-methylbenzamide
CID 108559242
N-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-3-(2-methylpropanoylamino)pyrazine-2-carboxamide
CID 42854006
N-[1-(2-chloro-4-fluorophenyl)sulfonylpiperidin-4-yl]pyridine-3-carboxamide
CID 47813446
3-(3,3-dimethylbutanoylamino)-N-[1-(4-fluorobenzoyl)piperidin-4-yl]pyrazine-2-carboxamide
CID 91634641
1-(4-fluoro-2-methylphenyl)sulfonyl-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide
CID 110349374
N-[1-(2,4-dimethylphenyl)sulfonylpiperidin-4-yl]-3,4-dimethylbenzamide
CID 108562672
N-[1-(2-chloro-4-fluorophenyl)sulfonylpiperidin-4-yl]-5-methylthiophene-2-carboxamide
CID 49460434
methyl 1-(4-fluoro-2-methylphenyl)sulfonylpyrrolidine-3-carboxylate
CID 47305546
1-(4-fluoro-2-methylphenyl)sulfonyl-4,4-dimethylpiperidine
CID 110738659

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethylpropanoylamino)-N-[1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-4-yl]pyrazine-2-carboxamide?
The IUPAC name of 3-(2,2-dimethylpropanoylamino)-N-[1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-4-yl]pyrazine-2-carboxamide (CID 42866734) is 3-(2,2-dimethylpropanoylamino)-N-[1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-4-yl]pyrazine-2-carboxamide.
What is the SMILES notation for 3-(2,2-dimethylpropanoylamino)-N-[1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-4-yl]pyrazine-2-carboxamide?
The canonical SMILES for 3-(2,2-dimethylpropanoylamino)-N-[1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-4-yl]pyrazine-2-carboxamide is Cc1cc(F)ccc1S(=O)(=O)N1CCC(NC(=O)c2nccnc2NC(=O)C(C)(C)C)CC1.
What is the InChIKey of 3-(2,2-dimethylpropanoylamino)-N-[1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-4-yl]pyrazine-2-carboxamide?
The InChIKey is XUNUWLIMHRESGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28FN5O4S/c1-14-13-15(23)5-6-17(14)33(31,32)28-11-7-16(8-12-28)26-20(29)18-19(25-10-9-24-18)27-21(30)22(2,3)4/h5-6,9-10,13,16H,7-8,11-12H2,1-4H3,(H,26,29)(H,25,27,30).
What are the key properties of 3-(2,2-dimethylpropanoylamino)-N-[1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-4-yl]pyrazine-2-carboxamide?
3-(2,2-dimethylpropanoylamino)-N-[1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-4-yl]pyrazine-2-carboxamide has a molecular weight of 477.56 g/mol, XLogP of 2.49, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethylpropanoylamino)-N-[1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-4-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 42866734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).