N-(2-but-3-enoxyethyl)-5-(ethylaminomethyl)furan-2-sulfonamide

C13H22N2O4S — CID 106410034

IUPACN-(2-but-3-enoxyethyl)-5-(ethylaminomethyl)furan-2-sulfonamide
SMILESC=CCCOCCNS(=O)(=O)c1ccc(CNCC)o1
InChIInChI=1S/C13H22N2O4S/c1-3-5-9-18-10-8-15-20(16,17)13-7-6-12(19-13)11-14-4-2/h3,6-7,14-15H,1,4-5,8-11H2,2H3
InChIKeyLSZMKEMWAKJIOH-UHFFFAOYSA-N
MW302.40 g/mol
LogP1.26
Rot. Bonds11

About N-(2-but-3-enoxyethyl)-5-(ethylaminomethyl)furan-2-sulfonamide

N-(2-but-3-enoxyethyl)-5-(ethylaminomethyl)furan-2-sulfonamide (PubChem CID 106410034) has the molecular formula C13H22N2O4S and a molecular weight of 302.40 g/mol. Its IUPAC name is N-(2-but-3-enoxyethyl)-5-(ethylaminomethyl)furan-2-sulfonamide.

Molecular Properties

Compound NameN-(2-but-3-enoxyethyl)-5-(ethylaminomethyl)furan-2-sulfonamide
PubChem CID106410034
Molecular FormulaC13H22N2O4S
Molecular Weight302.40 g/mol
Exact Mass302.13
IUPAC NameN-(2-but-3-enoxyethyl)-5-(ethylaminomethyl)furan-2-sulfonamide
SMILESC=CCCOCCNS(=O)(=O)c1ccc(CNCC)o1
InChIInChI=1S/C13H22N2O4S/c1-3-5-9-18-10-8-15-20(16,17)13-7-6-12(19-13)11-14-4-2/h3,6-7,14-15H,1,4-5,8-11H2,2H3
InChIKeyLSZMKEMWAKJIOH-UHFFFAOYSA-N
XLogP1.26
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-(2-but-3-enoxyethyl)-5-(propylaminomethyl)furan-2-sulfonamide
CID 106410031
5-(ethylaminomethyl)-N-(4-hydroxybutyl)furan-2-sulfonamide
CID 106846834
2-but-3-enoxy-N-[(5-ethylfuran-2-yl)methyl]ethanamine
CID 115770524
N-but-3-enyl-5-(ethylaminomethyl)-N-methylfuran-2-sulfonamide
CID 114265091
5-(ethylaminomethyl)-N-[2-(trifluoromethylsulfanyl)ethyl]furan-2-sulfonamide
CID 106433466
N-(2-bromoprop-2-enyl)-5-(propylaminomethyl)furan-2-sulfonamide
CID 113465229
2-amino-N-(2-but-3-enoxyethyl)-6-chlorobenzenesulfonamide
CID 106392649
N-(2-but-3-enoxyethyl)-2-(ethylamino)ethanesulfonamide
CID 106402426
5-(ethylaminomethyl)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]furan-2-sulfonamide
CID 106410018
5-(ethylaminomethyl)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]furan-2-sulfonamide
CID 115457142
5-(ethylaminomethyl)-N-(1,2-oxazol-5-ylmethyl)furan-2-sulfonamide
CID 106423367
5-(ethylaminomethyl)-N-[2-(1-methylpyrazol-3-yl)ethyl]furan-2-sulfonamide
CID 106106529

Frequently Asked Questions

What is the IUPAC name of N-(2-but-3-enoxyethyl)-5-(ethylaminomethyl)furan-2-sulfonamide?
The IUPAC name of N-(2-but-3-enoxyethyl)-5-(ethylaminomethyl)furan-2-sulfonamide (CID 106410034) is N-(2-but-3-enoxyethyl)-5-(ethylaminomethyl)furan-2-sulfonamide.
What is the SMILES notation for N-(2-but-3-enoxyethyl)-5-(ethylaminomethyl)furan-2-sulfonamide?
The canonical SMILES for N-(2-but-3-enoxyethyl)-5-(ethylaminomethyl)furan-2-sulfonamide is C=CCCOCCNS(=O)(=O)c1ccc(CNCC)o1.
What is the InChIKey of N-(2-but-3-enoxyethyl)-5-(ethylaminomethyl)furan-2-sulfonamide?
The InChIKey is LSZMKEMWAKJIOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O4S/c1-3-5-9-18-10-8-15-20(16,17)13-7-6-12(19-13)11-14-4-2/h3,6-7,14-15H,1,4-5,8-11H2,2H3.
What are the key properties of N-(2-but-3-enoxyethyl)-5-(ethylaminomethyl)furan-2-sulfonamide?
N-(2-but-3-enoxyethyl)-5-(ethylaminomethyl)furan-2-sulfonamide has a molecular weight of 302.40 g/mol, XLogP of 1.26, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-but-3-enoxyethyl)-5-(ethylaminomethyl)furan-2-sulfonamide is sourced from PubChem (CID 106410034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).