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

C21H24N4O4S — CID 53183101

IUPAC2-methyl-N-[(2-methylphenyl)methyl]-5-[4-(pyrrolidine-1-carbonyl)-1H-pyrazol-5-yl]furan-3-sulfonamide
SMILESCc1ccccc1CNS(=O)(=O)c1cc(-c2[nH]ncc2C(=O)N2CCCC2)oc1C
InChIInChI=1S/C21H24N4O4S/c1-14-7-3-4-8-16(14)12-23-30(27,28)19-11-18(29-15(19)2)20-17(13-22-24-20)21(26)25-9-5-6-10-25/h3-4,7-8,11,13,23H,5-6,9-10,12H2,1-2H3,(H,22,24)
InChIKeyAFDNGUQSEVNRSL-UHFFFAOYSA-N
MW428.51 g/mol
LogP3.00
Rot. Bonds6

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

2-methyl-N-[(2-methylphenyl)methyl]-5-[4-(pyrrolidine-1-carbonyl)-1H-pyrazol-5-yl]furan-3-sulfonamide (PubChem CID 53183101) has the molecular formula C21H24N4O4S and a molecular weight of 428.51 g/mol. Its IUPAC name is 2-methyl-N-[(2-methylphenyl)methyl]-5-[4-(pyrrolidine-1-carbonyl)-1H-pyrazol-5-yl]furan-3-sulfonamide.

Molecular Properties

Compound Name2-methyl-N-[(2-methylphenyl)methyl]-5-[4-(pyrrolidine-1-carbonyl)-1H-pyrazol-5-yl]furan-3-sulfonamide
PubChem CID53183101
Molecular FormulaC21H24N4O4S
Molecular Weight428.51 g/mol
Exact Mass428.15
IUPAC Name2-methyl-N-[(2-methylphenyl)methyl]-5-[4-(pyrrolidine-1-carbonyl)-1H-pyrazol-5-yl]furan-3-sulfonamide
SMILESCc1ccccc1CNS(=O)(=O)c1cc(-c2[nH]ncc2C(=O)N2CCCC2)oc1C
InChIInChI=1S/C21H24N4O4S/c1-14-7-3-4-8-16(14)12-23-30(27,28)19-11-18(29-15(19)2)20-17(13-22-24-20)21(26)25-9-5-6-10-25/h3-4,7-8,11,13,23H,5-6,9-10,12H2,1-2H3,(H,22,24)
InChIKeyAFDNGUQSEVNRSL-UHFFFAOYSA-N
XLogP3.00
TPSA108.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.51
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-N-[(3-methylphenyl)methyl]-5-[4-(pyrrolidine-1-carbonyl)-1H-pyrazol-5-yl]furan-3-sulfonamide
CID 53183108
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
N-(2,3-dimethylphenyl)-2-methyl-5-[4-(pyrrolidine-1-carbonyl)-1H-pyrazol-5-yl]furan-3-sulfonamide
CID 53183070
N-(2,3-dimethylphenyl)-2-methyl-5-[4-(piperidine-1-carbonyl)-1H-pyrazol-5-yl]furan-3-sulfonamide
CID 53183136
2-methyl-N-(4-methylphenyl)-5-[4-(piperidine-1-carbonyl)-1H-pyrazol-5-yl]furan-3-sulfonamide
CID 53183128
[5-[5-methyl-4-(4-methylpiperidin-1-yl)sulfonylfuran-2-yl]-1H-pyrazol-4-yl]-pyrrolidin-1-ylmethanone
CID 53183061
5-[4-(benzylsulfamoyl)-5-methylfuran-2-yl]-N,N-dimethyl-1H-pyrazole-4-carboxamide
CID 53183215
N-[(2-methylphenyl)methyl]-3-(piperidine-1-carbonyl)benzenesulfonamide
CID 109063280
2,5-dimethyl-N-[(2-methylphenyl)methyl]-4-(piperidine-1-carbonyl)-1H-pyrrole-3-sulfonamide
CID 20945265
N-[(2-chlorophenyl)methyl]-1,2-dimethyl-5-(piperidine-1-carbonyl)pyrrole-3-sulfonamide
CID 53068661
4-methyl-N-(pyridin-2-ylmethyl)-3-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 6493048

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(2-methylphenyl)methyl]-5-[4-(pyrrolidine-1-carbonyl)-1H-pyrazol-5-yl]furan-3-sulfonamide?
The IUPAC name of 2-methyl-N-[(2-methylphenyl)methyl]-5-[4-(pyrrolidine-1-carbonyl)-1H-pyrazol-5-yl]furan-3-sulfonamide (CID 53183101) is 2-methyl-N-[(2-methylphenyl)methyl]-5-[4-(pyrrolidine-1-carbonyl)-1H-pyrazol-5-yl]furan-3-sulfonamide.
What is the SMILES notation for 2-methyl-N-[(2-methylphenyl)methyl]-5-[4-(pyrrolidine-1-carbonyl)-1H-pyrazol-5-yl]furan-3-sulfonamide?
The canonical SMILES for 2-methyl-N-[(2-methylphenyl)methyl]-5-[4-(pyrrolidine-1-carbonyl)-1H-pyrazol-5-yl]furan-3-sulfonamide is Cc1ccccc1CNS(=O)(=O)c1cc(-c2[nH]ncc2C(=O)N2CCCC2)oc1C.
What is the InChIKey of 2-methyl-N-[(2-methylphenyl)methyl]-5-[4-(pyrrolidine-1-carbonyl)-1H-pyrazol-5-yl]furan-3-sulfonamide?
The InChIKey is AFDNGUQSEVNRSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O4S/c1-14-7-3-4-8-16(14)12-23-30(27,28)19-11-18(29-15(19)2)20-17(13-22-24-20)21(26)25-9-5-6-10-25/h3-4,7-8,11,13,23H,5-6,9-10,12H2,1-2H3,(H,22,24).
What are the key properties of 2-methyl-N-[(2-methylphenyl)methyl]-5-[4-(pyrrolidine-1-carbonyl)-1H-pyrazol-5-yl]furan-3-sulfonamide?
2-methyl-N-[(2-methylphenyl)methyl]-5-[4-(pyrrolidine-1-carbonyl)-1H-pyrazol-5-yl]furan-3-sulfonamide has a molecular weight of 428.51 g/mol, XLogP of 3.00, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(2-methylphenyl)methyl]-5-[4-(pyrrolidine-1-carbonyl)-1H-pyrazol-5-yl]furan-3-sulfonamide is sourced from PubChem (CID 53183101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).