2-methyl-N-(4-methylphenyl)-5-[4-(piperidine-1-carbonyl)-1H-pyrazol-5-yl]furan-3-sulfonamide

C21H24N4O4S — CID 53183128

IUPAC2-methyl-N-(4-methylphenyl)-5-[4-(piperidine-1-carbonyl)-1H-pyrazol-5-yl]furan-3-sulfonamide
SMILESCc1ccc(NS(=O)(=O)c2cc(-c3[nH]ncc3C(=O)N3CCCCC3)oc2C)cc1
InChIInChI=1S/C21H24N4O4S/c1-14-6-8-16(9-7-14)24-30(27,28)19-12-18(29-15(19)2)20-17(13-22-23-20)21(26)25-10-4-3-5-11-25/h6-9,12-13,24H,3-5,10-11H2,1-2H3,(H,22,23)
InChIKeyGCJNAMQDFXWLOM-UHFFFAOYSA-N
MW428.51 g/mol
LogP3.71
Rot. Bonds5

About 2-methyl-N-(4-methylphenyl)-5-[4-(piperidine-1-carbonyl)-1H-pyrazol-5-yl]furan-3-sulfonamide

2-methyl-N-(4-methylphenyl)-5-[4-(piperidine-1-carbonyl)-1H-pyrazol-5-yl]furan-3-sulfonamide (PubChem CID 53183128) has the molecular formula C21H24N4O4S and a molecular weight of 428.51 g/mol. Its IUPAC name is 2-methyl-N-(4-methylphenyl)-5-[4-(piperidine-1-carbonyl)-1H-pyrazol-5-yl]furan-3-sulfonamide.

Molecular Properties

Compound Name2-methyl-N-(4-methylphenyl)-5-[4-(piperidine-1-carbonyl)-1H-pyrazol-5-yl]furan-3-sulfonamide
PubChem CID53183128
Molecular FormulaC21H24N4O4S
Molecular Weight428.51 g/mol
Exact Mass428.15
IUPAC Name2-methyl-N-(4-methylphenyl)-5-[4-(piperidine-1-carbonyl)-1H-pyrazol-5-yl]furan-3-sulfonamide
SMILESCc1ccc(NS(=O)(=O)c2cc(-c3[nH]ncc3C(=O)N3CCCCC3)oc2C)cc1
InChIInChI=1S/C21H24N4O4S/c1-14-6-8-16(9-7-14)24-30(27,28)19-12-18(29-15(19)2)20-17(13-22-23-20)21(26)25-10-4-3-5-11-25/h6-9,12-13,24H,3-5,10-11H2,1-2H3,(H,22,23)
InChIKeyGCJNAMQDFXWLOM-UHFFFAOYSA-N
XLogP3.71
TPSA108.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.51
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,3-dimethylphenyl)-2-methyl-5-[4-(piperidine-1-carbonyl)-1H-pyrazol-5-yl]furan-3-sulfonamide
CID 53183136
N-(2,3-dimethylphenyl)-2-methyl-5-[4-(pyrrolidine-1-carbonyl)-1H-pyrazol-5-yl]furan-3-sulfonamide
CID 53183070
2-methyl-N-[(3-methylphenyl)methyl]-5-[4-(pyrrolidine-1-carbonyl)-1H-pyrazol-5-yl]furan-3-sulfonamide
CID 53183108
2-methyl-N-[(2-methylphenyl)methyl]-5-[4-(pyrrolidine-1-carbonyl)-1H-pyrazol-5-yl]furan-3-sulfonamide
CID 53183101
N-(furan-2-ylmethyl)-2-methyl-5-[4-(pyrrolidine-1-carbonyl)-1H-pyrazol-5-yl]furan-3-sulfonamide
CID 53183075
N-[(3-fluorophenyl)methyl]-2-methyl-5-[4-(pyrrolidine-1-carbonyl)-1H-pyrazol-5-yl]furan-3-sulfonamide
CID 53183099
[5-[5-methyl-4-(4-methylpiperidin-1-yl)sulfonylfuran-2-yl]-1H-pyrazol-4-yl]-pyrrolidin-1-ylmethanone
CID 53183061
5-[4-[(3,5-difluorophenyl)sulfamoyl]-5-methylfuran-2-yl]-N,N-dimethyl-1H-pyrazole-4-carboxamide
CID 53183245
5-[4-[(3-chloro-4-methoxyphenyl)sulfamoyl]-5-methylfuran-2-yl]-N,N-dimethyl-1H-pyrazole-4-carboxamide
CID 53183202
4-methyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide
CID 967693
5-(azepane-1-carbonyl)-2-chloro-N-(4-methylphenyl)benzenesulfonamide
CID 1266192
N-[4-(azepane-1-carbonyl)phenyl]-2,5-dimethylbenzenesulfonamide
CID 7908023

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(4-methylphenyl)-5-[4-(piperidine-1-carbonyl)-1H-pyrazol-5-yl]furan-3-sulfonamide?
The IUPAC name of 2-methyl-N-(4-methylphenyl)-5-[4-(piperidine-1-carbonyl)-1H-pyrazol-5-yl]furan-3-sulfonamide (CID 53183128) is 2-methyl-N-(4-methylphenyl)-5-[4-(piperidine-1-carbonyl)-1H-pyrazol-5-yl]furan-3-sulfonamide.
What is the SMILES notation for 2-methyl-N-(4-methylphenyl)-5-[4-(piperidine-1-carbonyl)-1H-pyrazol-5-yl]furan-3-sulfonamide?
The canonical SMILES for 2-methyl-N-(4-methylphenyl)-5-[4-(piperidine-1-carbonyl)-1H-pyrazol-5-yl]furan-3-sulfonamide is Cc1ccc(NS(=O)(=O)c2cc(-c3[nH]ncc3C(=O)N3CCCCC3)oc2C)cc1.
What is the InChIKey of 2-methyl-N-(4-methylphenyl)-5-[4-(piperidine-1-carbonyl)-1H-pyrazol-5-yl]furan-3-sulfonamide?
The InChIKey is GCJNAMQDFXWLOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O4S/c1-14-6-8-16(9-7-14)24-30(27,28)19-12-18(29-15(19)2)20-17(13-22-23-20)21(26)25-10-4-3-5-11-25/h6-9,12-13,24H,3-5,10-11H2,1-2H3,(H,22,23).
What are the key properties of 2-methyl-N-(4-methylphenyl)-5-[4-(piperidine-1-carbonyl)-1H-pyrazol-5-yl]furan-3-sulfonamide?
2-methyl-N-(4-methylphenyl)-5-[4-(piperidine-1-carbonyl)-1H-pyrazol-5-yl]furan-3-sulfonamide has a molecular weight of 428.51 g/mol, XLogP of 3.71, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(4-methylphenyl)-5-[4-(piperidine-1-carbonyl)-1H-pyrazol-5-yl]furan-3-sulfonamide is sourced from PubChem (CID 53183128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).