N-ethyl-5-(ethylaminomethyl)-N-(2-methylbutyl)furan-2-sulfonamide

C14H26N2O3S — CID 79470714

IUPACN-ethyl-5-(ethylaminomethyl)-N-(2-methylbutyl)furan-2-sulfonamide
SMILESCCNCc1ccc(S(=O)(=O)N(CC)CC(C)CC)o1
InChIInChI=1S/C14H26N2O3S/c1-5-12(4)11-16(7-3)20(17,18)14-9-8-13(19-14)10-15-6-2/h8-9,12,15H,5-7,10-11H2,1-4H3
InChIKeyZIFGCPCEMHULAX-UHFFFAOYSA-N
MW302.44 g/mol
LogP2.45
Rot. Bonds9

About N-ethyl-5-(ethylaminomethyl)-N-(2-methylbutyl)furan-2-sulfonamide

N-ethyl-5-(ethylaminomethyl)-N-(2-methylbutyl)furan-2-sulfonamide (PubChem CID 79470714) has the molecular formula C14H26N2O3S and a molecular weight of 302.44 g/mol. Its IUPAC name is N-ethyl-5-(ethylaminomethyl)-N-(2-methylbutyl)furan-2-sulfonamide.

Molecular Properties

Compound NameN-ethyl-5-(ethylaminomethyl)-N-(2-methylbutyl)furan-2-sulfonamide
PubChem CID79470714
Molecular FormulaC14H26N2O3S
Molecular Weight302.44 g/mol
Exact Mass302.17
IUPAC NameN-ethyl-5-(ethylaminomethyl)-N-(2-methylbutyl)furan-2-sulfonamide
SMILESCCNCc1ccc(S(=O)(=O)N(CC)CC(C)CC)o1
InChIInChI=1S/C14H26N2O3S/c1-5-12(4)11-16(7-3)20(17,18)14-9-8-13(19-14)10-15-6-2/h8-9,12,15H,5-7,10-11H2,1-4H3
InChIKeyZIFGCPCEMHULAX-UHFFFAOYSA-N
XLogP2.45
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.44
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-4-(ethylaminomethyl)-N-(2-methylbutyl)benzenesulfonamide
CID 79479965
N-but-3-enyl-5-(ethylaminomethyl)-N-methylfuran-2-sulfonamide
CID 114265091
2-bromo-N-ethyl-5-(hydroxymethyl)-N-(2-methylbutyl)furan-3-sulfonamide
CID 79470111
N-(cyclobutylmethyl)-N-ethyl-5-[(propan-2-ylamino)methyl]furan-2-sulfonamide
CID 107402616
3-amino-N-ethyl-2,6-dimethyl-N-(2-methylbutyl)benzenesulfonamide
CID 79477818
5-(ethylaminomethyl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]furan-2-sulfonamide
CID 79266874
N-(cyclobutylmethyl)-N-ethyl-5-(propylaminomethyl)furan-2-sulfonamide
CID 107402614
N-(2-ethoxyethyl)-5-(ethylaminomethyl)-N-methylfuran-2-sulfonamide
CID 81074904
N-ethyl-2-(methylaminomethyl)-N-(2-methylbutyl)benzenesulfonamide
CID 79470283
N-[[5-(4-propan-2-ylpiperidin-1-yl)sulfonylfuran-2-yl]methyl]ethanamine
CID 103504076
5-(ethylaminomethyl)-N-octan-4-ylfuran-2-sulfonamide
CID 106028474
4-[ethyl(2-methylbutyl)sulfamoyl]benzenesulfonyl fluoride
CID 114791690

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-(ethylaminomethyl)-N-(2-methylbutyl)furan-2-sulfonamide?
The IUPAC name of N-ethyl-5-(ethylaminomethyl)-N-(2-methylbutyl)furan-2-sulfonamide (CID 79470714) is N-ethyl-5-(ethylaminomethyl)-N-(2-methylbutyl)furan-2-sulfonamide.
What is the SMILES notation for N-ethyl-5-(ethylaminomethyl)-N-(2-methylbutyl)furan-2-sulfonamide?
The canonical SMILES for N-ethyl-5-(ethylaminomethyl)-N-(2-methylbutyl)furan-2-sulfonamide is CCNCc1ccc(S(=O)(=O)N(CC)CC(C)CC)o1.
What is the InChIKey of N-ethyl-5-(ethylaminomethyl)-N-(2-methylbutyl)furan-2-sulfonamide?
The InChIKey is ZIFGCPCEMHULAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3S/c1-5-12(4)11-16(7-3)20(17,18)14-9-8-13(19-14)10-15-6-2/h8-9,12,15H,5-7,10-11H2,1-4H3.
What are the key properties of N-ethyl-5-(ethylaminomethyl)-N-(2-methylbutyl)furan-2-sulfonamide?
N-ethyl-5-(ethylaminomethyl)-N-(2-methylbutyl)furan-2-sulfonamide has a molecular weight of 302.44 g/mol, XLogP of 2.45, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-(ethylaminomethyl)-N-(2-methylbutyl)furan-2-sulfonamide is sourced from PubChem (CID 79470714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).