N-[1-(1-phenyl-3-thiophen-2-ylpyrazole-4-carbonyl)piperidin-4-yl]thiophene-2-sulfonamide

C23H22N4O3S3 — CID 46565675

IUPACN-[1-(1-phenyl-3-thiophen-2-ylpyrazole-4-carbonyl)piperidin-4-yl]thiophene-2-sulfonamide
SMILESO=C(c1cn(-c2ccccc2)nc1-c1cccs1)N1CCC(NS(=O)(=O)c2cccs2)CC1
InChIInChI=1S/C23H22N4O3S3/c28-23(26-12-10-17(11-13-26)25-33(29,30)21-9-5-15-32-21)19-16-27(18-6-2-1-3-7-18)24-22(19)20-8-4-14-31-20/h1-9,14-17,25H,10-13H2
InChIKeyBBONDHPWVGMQGR-UHFFFAOYSA-N
MW498.66 g/mol
LogP4.25
Rot. Bonds6

About N-[1-(1-phenyl-3-thiophen-2-ylpyrazole-4-carbonyl)piperidin-4-yl]thiophene-2-sulfonamide

N-[1-(1-phenyl-3-thiophen-2-ylpyrazole-4-carbonyl)piperidin-4-yl]thiophene-2-sulfonamide (PubChem CID 46565675) has the molecular formula C23H22N4O3S3 and a molecular weight of 498.66 g/mol. Its IUPAC name is N-[1-(1-phenyl-3-thiophen-2-ylpyrazole-4-carbonyl)piperidin-4-yl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[1-(1-phenyl-3-thiophen-2-ylpyrazole-4-carbonyl)piperidin-4-yl]thiophene-2-sulfonamide
PubChem CID46565675
Molecular FormulaC23H22N4O3S3
Molecular Weight498.66 g/mol
Exact Mass498.09
IUPAC NameN-[1-(1-phenyl-3-thiophen-2-ylpyrazole-4-carbonyl)piperidin-4-yl]thiophene-2-sulfonamide
SMILESO=C(c1cn(-c2ccccc2)nc1-c1cccs1)N1CCC(NS(=O)(=O)c2cccs2)CC1
InChIInChI=1S/C23H22N4O3S3/c28-23(26-12-10-17(11-13-26)25-33(29,30)21-9-5-15-32-21)19-16-27(18-6-2-1-3-7-18)24-22(19)20-8-4-14-31-20/h1-9,14-17,25H,10-13H2
InChIKeyBBONDHPWVGMQGR-UHFFFAOYSA-N
XLogP4.25
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.66
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[1-(1-phenyl-3-thiophen-2-ylpyrazole-4-carbonyl)piperidin-4-yl]thiophene-2-sulfonamide 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-aminopiperidin-1-yl)-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methanone;hydrochloride
CID 119375478
azetidin-1-yl-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methanone
CID 7677674
[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methanone
CID 55516612
N-cyclopropyl-2-[4-(1-phenyl-3-thiophen-2-ylpyrazole-4-carbonyl)piperazin-1-yl]acetamide
CID 17491792
[3-(methylamino)piperidin-1-yl]-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methanone;hydrochloride
CID 119491605
(4-methyl-1,4-diazepan-1-yl)-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methanone
CID 78769505
(3S)-1-(1-phenyl-3-thiophen-2-ylpyrazole-4-carbonyl)piperidine-3-carboxylic acid
CID 119113520
N-[[4-(cyclopropylsulfamoyl)phenyl]methyl]-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide
CID 55846248
N-[3-(dimethylamino)-2,2-dimethylpropyl]-1-(1-phenyl-3-thiophen-2-ylpyrazole-4-carbonyl)piperidine-4-carboxamide
CID 55987291
N,N-dimethyl-2-[4-(1-phenyl-3-thiophen-2-ylpyrazole-4-carbonyl)piperazin-1-yl]acetamide
CID 42115461
N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]thiophene-2-sulfonamide
CID 33348692
N-[1-(5-amino-2-methylbenzoyl)piperidin-4-yl]thiophene-2-sulfonamide
CID 120622781

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-phenyl-3-thiophen-2-ylpyrazole-4-carbonyl)piperidin-4-yl]thiophene-2-sulfonamide?
The IUPAC name of N-[1-(1-phenyl-3-thiophen-2-ylpyrazole-4-carbonyl)piperidin-4-yl]thiophene-2-sulfonamide (CID 46565675) is N-[1-(1-phenyl-3-thiophen-2-ylpyrazole-4-carbonyl)piperidin-4-yl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[1-(1-phenyl-3-thiophen-2-ylpyrazole-4-carbonyl)piperidin-4-yl]thiophene-2-sulfonamide?
The canonical SMILES for N-[1-(1-phenyl-3-thiophen-2-ylpyrazole-4-carbonyl)piperidin-4-yl]thiophene-2-sulfonamide is O=C(c1cn(-c2ccccc2)nc1-c1cccs1)N1CCC(NS(=O)(=O)c2cccs2)CC1.
What is the InChIKey of N-[1-(1-phenyl-3-thiophen-2-ylpyrazole-4-carbonyl)piperidin-4-yl]thiophene-2-sulfonamide?
The InChIKey is BBONDHPWVGMQGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O3S3/c28-23(26-12-10-17(11-13-26)25-33(29,30)21-9-5-15-32-21)19-16-27(18-6-2-1-3-7-18)24-22(19)20-8-4-14-31-20/h1-9,14-17,25H,10-13H2.
What are the key properties of N-[1-(1-phenyl-3-thiophen-2-ylpyrazole-4-carbonyl)piperidin-4-yl]thiophene-2-sulfonamide?
N-[1-(1-phenyl-3-thiophen-2-ylpyrazole-4-carbonyl)piperidin-4-yl]thiophene-2-sulfonamide has a molecular weight of 498.66 g/mol, XLogP of 4.25, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-phenyl-3-thiophen-2-ylpyrazole-4-carbonyl)piperidin-4-yl]thiophene-2-sulfonamide is sourced from PubChem (CID 46565675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).