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

C18H20N4O5S — CID 53183075

IUPACN-(furan-2-ylmethyl)-2-methyl-5-[4-(pyrrolidine-1-carbonyl)-1H-pyrazol-5-yl]furan-3-sulfonamide
SMILESCc1oc(-c2[nH]ncc2C(=O)N2CCCC2)cc1S(=O)(=O)NCc1ccco1
InChIInChI=1S/C18H20N4O5S/c1-12-16(28(24,25)20-10-13-5-4-8-26-13)9-15(27-12)17-14(11-19-21-17)18(23)22-6-2-3-7-22/h4-5,8-9,11,20H,2-3,6-7,10H2,1H3,(H,19,21)
InChIKeyYSTPEWZETLCLES-UHFFFAOYSA-N
MW404.45 g/mol
LogP2.29
Rot. Bonds6

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

N-(furan-2-ylmethyl)-2-methyl-5-[4-(pyrrolidine-1-carbonyl)-1H-pyrazol-5-yl]furan-3-sulfonamide (PubChem CID 53183075) has the molecular formula C18H20N4O5S and a molecular weight of 404.45 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-methyl-5-[4-(pyrrolidine-1-carbonyl)-1H-pyrazol-5-yl]furan-3-sulfonamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-methyl-5-[4-(pyrrolidine-1-carbonyl)-1H-pyrazol-5-yl]furan-3-sulfonamide
PubChem CID53183075
Molecular FormulaC18H20N4O5S
Molecular Weight404.45 g/mol
Exact Mass404.12
IUPAC NameN-(furan-2-ylmethyl)-2-methyl-5-[4-(pyrrolidine-1-carbonyl)-1H-pyrazol-5-yl]furan-3-sulfonamide
SMILESCc1oc(-c2[nH]ncc2C(=O)N2CCCC2)cc1S(=O)(=O)NCc1ccco1
InChIInChI=1S/C18H20N4O5S/c1-12-16(28(24,25)20-10-13-5-4-8-26-13)9-15(27-12)17-14(11-19-21-17)18(23)22-6-2-3-7-22/h4-5,8-9,11,20H,2-3,6-7,10H2,1H3,(H,19,21)
InChIKeyYSTPEWZETLCLES-UHFFFAOYSA-N
XLogP2.29
TPSA121.44 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.45
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-methyl-N-[(2-methylphenyl)methyl]-5-[4-(pyrrolidine-1-carbonyl)-1H-pyrazol-5-yl]furan-3-sulfonamide
CID 53183101
2-methyl-N-[(3-methylphenyl)methyl]-5-[4-(pyrrolidine-1-carbonyl)-1H-pyrazol-5-yl]furan-3-sulfonamide
CID 53183108
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-(furan-2-ylmethyl)-4-methyl-3-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 6458669
[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-(furan-2-ylmethyl)-2-methyl-5-(1,2-oxazol-5-yl)furan-3-sulfonamide
CID 46292504
3-(3-ethylpiperidine-1-carbonyl)-N-(furan-2-ylmethyl)-4-methylbenzenesulfonamide
CID 55654720
furan-2-yl-[4-[5-(3-methylphenyl)-1H-pyrazole-4-carbonyl]-1,4-diazepan-1-yl]methanone
CID 119069076
1-[5-(furan-2-ylmethylsulfamoyl)-2-methylbenzoyl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 55601232
azepan-1-yl-[5-(furan-2-ylmethylamino)pyrazin-2-yl]methanone
CID 109279529

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-methyl-5-[4-(pyrrolidine-1-carbonyl)-1H-pyrazol-5-yl]furan-3-sulfonamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-methyl-5-[4-(pyrrolidine-1-carbonyl)-1H-pyrazol-5-yl]furan-3-sulfonamide (CID 53183075) is N-(furan-2-ylmethyl)-2-methyl-5-[4-(pyrrolidine-1-carbonyl)-1H-pyrazol-5-yl]furan-3-sulfonamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-methyl-5-[4-(pyrrolidine-1-carbonyl)-1H-pyrazol-5-yl]furan-3-sulfonamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-methyl-5-[4-(pyrrolidine-1-carbonyl)-1H-pyrazol-5-yl]furan-3-sulfonamide is Cc1oc(-c2[nH]ncc2C(=O)N2CCCC2)cc1S(=O)(=O)NCc1ccco1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-methyl-5-[4-(pyrrolidine-1-carbonyl)-1H-pyrazol-5-yl]furan-3-sulfonamide?
The InChIKey is YSTPEWZETLCLES-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O5S/c1-12-16(28(24,25)20-10-13-5-4-8-26-13)9-15(27-12)17-14(11-19-21-17)18(23)22-6-2-3-7-22/h4-5,8-9,11,20H,2-3,6-7,10H2,1H3,(H,19,21).
What are the key properties of N-(furan-2-ylmethyl)-2-methyl-5-[4-(pyrrolidine-1-carbonyl)-1H-pyrazol-5-yl]furan-3-sulfonamide?
N-(furan-2-ylmethyl)-2-methyl-5-[4-(pyrrolidine-1-carbonyl)-1H-pyrazol-5-yl]furan-3-sulfonamide has a molecular weight of 404.45 g/mol, XLogP of 2.29, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-methyl-5-[4-(pyrrolidine-1-carbonyl)-1H-pyrazol-5-yl]furan-3-sulfonamide is sourced from PubChem (CID 53183075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).