4-benzamido-N-[1-[3-(prop-2-enoylamino)phenyl]sulfonylpiperidin-4-yl]-1H-pyrazole-5-carboxamide

C25H26N6O5S — CID 150656864

IUPAC4-benzamido-N-[1-[3-(prop-2-enoylamino)phenyl]sulfonylpiperidin-4-yl]-1H-pyrazole-5-carboxamide
SMILESC=CC(=O)Nc1cccc(S(=O)(=O)N2CCC(NC(=O)c3[nH]ncc3NC(=O)c3ccccc3)CC2)c1
InChIInChI=1S/C25H26N6O5S/c1-2-22(32)27-19-9-6-10-20(15-19)37(35,36)31-13-11-18(12-14-31)28-25(34)23-21(16-26-30-23)29-24(33)17-7-4-3-5-8-17/h2-10,15-16,18H,1,11-14H2,(H,26,30)(H,27,32)(H,28,34)(H,29,33)
InChIKeyJDANOUDZRUXWLS-UHFFFAOYSA-N
MW522.59 g/mol
LogP2.37
Rot. Bonds8

About 4-benzamido-N-[1-[3-(prop-2-enoylamino)phenyl]sulfonylpiperidin-4-yl]-1H-pyrazole-5-carboxamide

4-benzamido-N-[1-[3-(prop-2-enoylamino)phenyl]sulfonylpiperidin-4-yl]-1H-pyrazole-5-carboxamide (PubChem CID 150656864) has the molecular formula C25H26N6O5S and a molecular weight of 522.59 g/mol. Its IUPAC name is 4-benzamido-N-[1-[3-(prop-2-enoylamino)phenyl]sulfonylpiperidin-4-yl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-benzamido-N-[1-[3-(prop-2-enoylamino)phenyl]sulfonylpiperidin-4-yl]-1H-pyrazole-5-carboxamide
PubChem CID150656864
Molecular FormulaC25H26N6O5S
Molecular Weight522.59 g/mol
Exact Mass522.17
IUPAC Name4-benzamido-N-[1-[3-(prop-2-enoylamino)phenyl]sulfonylpiperidin-4-yl]-1H-pyrazole-5-carboxamide
SMILESC=CC(=O)Nc1cccc(S(=O)(=O)N2CCC(NC(=O)c3[nH]ncc3NC(=O)c3ccccc3)CC2)c1
InChIInChI=1S/C25H26N6O5S/c1-2-22(32)27-19-9-6-10-20(15-19)37(35,36)31-13-11-18(12-14-31)28-25(34)23-21(16-26-30-23)29-24(33)17-7-4-3-5-8-17/h2-10,15-16,18H,1,11-14H2,(H,26,30)(H,27,32)(H,28,34)(H,29,33)
InChIKeyJDANOUDZRUXWLS-UHFFFAOYSA-N
XLogP2.37
TPSA153.36 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500522.59
LogP ≤ 52.37
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 4-benzamido-N-[1-[3-(prop-2-enoylamino)phenyl]sulfonylpiperidin-4-yl]-1H-pyrazole-5-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-{[(2,6-difluorophenyl)carbonyl]amino}-N-[(3S)-piperidin-3-yl]-1H-pyrazole-3-carboxamide
CID 24864082
(E)-N-(1-((3-(4-(Dimethylamino)but-2-enamido)phenyl)sulfonyl)piperidin-4-yl)-4-(2,4,6-trichlorobenzamido)-1H-pyrazole-3-carboxamide
CID 138454780
{[(2,6-difluorophenyl)carbonyl]amino}-N-piperidin-4-yl-1H-pyrazole-3-carboxamide
CID 11268094
Pyrazole diamide, 25
CID 24971319
Pyrazole diamide, 27
CID 24971321
Pyrazole diamide, 30
CID 24971322
Cdkl5/gsk3-IN-1
CID 59733332
4-[(2,6-dichlorobenzoyl)amino]-N-[1-[3-(prop-2-enoylamino)phenyl]sulfonylpiperidin-4-yl]-1H-pyrazole-5-carboxamide;2,2,2-trifluoroacetic acid
CID 155543597
1-(4-methylbenzenesulfonyl)-4-(5-phenyl-1H-pyrazole-3-carbonyl)piperazine
CID 8889263
N-Benzyl-N-(1H-pyrazol-3-ylmethyl)-2-(toluene-4-sulfonylamino)-benzamide
CID 44328272
1-(benzenesulfonyl)-4-(3-phenyl-1H-pyrazole-5-carbonyl)piperazine
CID 17406798
N-[4-(3-morpholin-4-ylpropylsulfamoyl)phenyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 17552653

Frequently Asked Questions

What is the IUPAC name of 4-benzamido-N-[1-[3-(prop-2-enoylamino)phenyl]sulfonylpiperidin-4-yl]-1H-pyrazole-5-carboxamide?
The IUPAC name of 4-benzamido-N-[1-[3-(prop-2-enoylamino)phenyl]sulfonylpiperidin-4-yl]-1H-pyrazole-5-carboxamide (CID 150656864) is 4-benzamido-N-[1-[3-(prop-2-enoylamino)phenyl]sulfonylpiperidin-4-yl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 4-benzamido-N-[1-[3-(prop-2-enoylamino)phenyl]sulfonylpiperidin-4-yl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for 4-benzamido-N-[1-[3-(prop-2-enoylamino)phenyl]sulfonylpiperidin-4-yl]-1H-pyrazole-5-carboxamide is C=CC(=O)Nc1cccc(S(=O)(=O)N2CCC(NC(=O)c3[nH]ncc3NC(=O)c3ccccc3)CC2)c1.
What is the InChIKey of 4-benzamido-N-[1-[3-(prop-2-enoylamino)phenyl]sulfonylpiperidin-4-yl]-1H-pyrazole-5-carboxamide?
The InChIKey is JDANOUDZRUXWLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N6O5S/c1-2-22(32)27-19-9-6-10-20(15-19)37(35,36)31-13-11-18(12-14-31)28-25(34)23-21(16-26-30-23)29-24(33)17-7-4-3-5-8-17/h2-10,15-16,18H,1,11-14H2,(H,26,30)(H,27,32)(H,28,34)(H,29,33).
What are the key properties of 4-benzamido-N-[1-[3-(prop-2-enoylamino)phenyl]sulfonylpiperidin-4-yl]-1H-pyrazole-5-carboxamide?
4-benzamido-N-[1-[3-(prop-2-enoylamino)phenyl]sulfonylpiperidin-4-yl]-1H-pyrazole-5-carboxamide has a molecular weight of 522.59 g/mol, XLogP of 2.37, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzamido-N-[1-[3-(prop-2-enoylamino)phenyl]sulfonylpiperidin-4-yl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 150656864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).