N-methyl-5-[4-(2-methylpropanoyl)piperazine-1-carbonyl]furan-2-sulfonamide

C14H21N3O5S — CID 55647946

IUPACN-methyl-5-[4-(2-methylpropanoyl)piperazine-1-carbonyl]furan-2-sulfonamide
SMILESCNS(=O)(=O)c1ccc(C(=O)N2CCN(C(=O)C(C)C)CC2)o1
InChIInChI=1S/C14H21N3O5S/c1-10(2)13(18)16-6-8-17(9-7-16)14(19)11-4-5-12(22-11)23(20,21)15-3/h4-5,10,15H,6-9H2,1-3H3
InChIKeyXUKBITUHTCYAJX-UHFFFAOYSA-N
MW343.41 g/mol
LogP0.13
Rot. Bonds4

About N-methyl-5-[4-(2-methylpropanoyl)piperazine-1-carbonyl]furan-2-sulfonamide

N-methyl-5-[4-(2-methylpropanoyl)piperazine-1-carbonyl]furan-2-sulfonamide (PubChem CID 55647946) has the molecular formula C14H21N3O5S and a molecular weight of 343.41 g/mol. Its IUPAC name is N-methyl-5-[4-(2-methylpropanoyl)piperazine-1-carbonyl]furan-2-sulfonamide.

Molecular Properties

Compound NameN-methyl-5-[4-(2-methylpropanoyl)piperazine-1-carbonyl]furan-2-sulfonamide
PubChem CID55647946
Molecular FormulaC14H21N3O5S
Molecular Weight343.41 g/mol
Exact Mass343.12
IUPAC NameN-methyl-5-[4-(2-methylpropanoyl)piperazine-1-carbonyl]furan-2-sulfonamide
SMILESCNS(=O)(=O)c1ccc(C(=O)N2CCN(C(=O)C(C)C)CC2)o1
InChIInChI=1S/C14H21N3O5S/c1-10(2)13(18)16-6-8-17(9-7-16)14(19)11-4-5-12(22-11)23(20,21)15-3/h4-5,10,15H,6-9H2,1-3H3
InChIKeyXUKBITUHTCYAJX-UHFFFAOYSA-N
XLogP0.13
TPSA99.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-5-(4-oxopiperidine-1-carbonyl)furan-2-sulfonamide
CID 112531251
1-[5-(methylsulfamoyl)furan-2-carbonyl]piperidine-4-carboxamide
CID 39896620
5-[4-(2-hydroxybutyl)piperazine-1-carbonyl]-N-methylfuran-2-sulfonamide
CID 56803099
5-[4-(3-chlorophenyl)piperazine-1-carbonyl]-N-methylfuran-2-sulfonamide
CID 38701176
5-[(2R,6R)-2,6-dimethylmorpholine-4-carbonyl]-N-methylfuran-2-sulfonamide
CID 39878222
N-methyl-5-[(2R)-2-methylmorpholine-4-carbonyl]furan-2-sulfonamide
CID 94023334
5-[(3R)-3-[(1S)-1-aminoethyl]piperidine-1-carbonyl]-N-methylfuran-2-sulfonamide
CID 124592409
N-methyl-5-[3-(methylamino)piperidine-1-carbonyl]furan-2-sulfonamide
CID 119493697
N-methyl-5-(2-propan-2-ylpyrrolidine-1-carbonyl)furan-2-sulfonamide
CID 47416164
5-[3-(hydroxymethyl)piperidine-1-carbonyl]-N-methylfuran-2-sulfonamide
CID 112531799
5-[2-(1-aminoethyl)piperidine-1-carbonyl]-N-methylfuran-2-sulfonamide
CID 119437647
N-[4-(2-methylpropanoylamino)phenyl]-5-(methylsulfamoyl)furan-2-carboxamide
CID 46430489

Frequently Asked Questions

What is the IUPAC name of N-methyl-5-[4-(2-methylpropanoyl)piperazine-1-carbonyl]furan-2-sulfonamide?
The IUPAC name of N-methyl-5-[4-(2-methylpropanoyl)piperazine-1-carbonyl]furan-2-sulfonamide (CID 55647946) is N-methyl-5-[4-(2-methylpropanoyl)piperazine-1-carbonyl]furan-2-sulfonamide.
What is the SMILES notation for N-methyl-5-[4-(2-methylpropanoyl)piperazine-1-carbonyl]furan-2-sulfonamide?
The canonical SMILES for N-methyl-5-[4-(2-methylpropanoyl)piperazine-1-carbonyl]furan-2-sulfonamide is CNS(=O)(=O)c1ccc(C(=O)N2CCN(C(=O)C(C)C)CC2)o1.
What is the InChIKey of N-methyl-5-[4-(2-methylpropanoyl)piperazine-1-carbonyl]furan-2-sulfonamide?
The InChIKey is XUKBITUHTCYAJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O5S/c1-10(2)13(18)16-6-8-17(9-7-16)14(19)11-4-5-12(22-11)23(20,21)15-3/h4-5,10,15H,6-9H2,1-3H3.
What are the key properties of N-methyl-5-[4-(2-methylpropanoyl)piperazine-1-carbonyl]furan-2-sulfonamide?
N-methyl-5-[4-(2-methylpropanoyl)piperazine-1-carbonyl]furan-2-sulfonamide has a molecular weight of 343.41 g/mol, XLogP of 0.13, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-[4-(2-methylpropanoyl)piperazine-1-carbonyl]furan-2-sulfonamide is sourced from PubChem (CID 55647946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).