N-(2-ethoxyethyl)-5-(ethylaminomethyl)-N-methylfuran-2-sulfonamide

C12H22N2O4S — CID 81074904

IUPACN-(2-ethoxyethyl)-5-(ethylaminomethyl)-N-methylfuran-2-sulfonamide
SMILESCCNCc1ccc(S(=O)(=O)N(C)CCOCC)o1
InChIInChI=1S/C12H22N2O4S/c1-4-13-10-11-6-7-12(18-11)19(15,16)14(3)8-9-17-5-2/h6-7,13H,4-5,8-10H2,1-3H3
InChIKeyDGOBKYPOIXAQQF-UHFFFAOYSA-N
MW290.39 g/mol
LogP1.05
Rot. Bonds9

About N-(2-ethoxyethyl)-5-(ethylaminomethyl)-N-methylfuran-2-sulfonamide

N-(2-ethoxyethyl)-5-(ethylaminomethyl)-N-methylfuran-2-sulfonamide (PubChem CID 81074904) has the molecular formula C12H22N2O4S and a molecular weight of 290.39 g/mol. Its IUPAC name is N-(2-ethoxyethyl)-5-(ethylaminomethyl)-N-methylfuran-2-sulfonamide.

Molecular Properties

Compound NameN-(2-ethoxyethyl)-5-(ethylaminomethyl)-N-methylfuran-2-sulfonamide
PubChem CID81074904
Molecular FormulaC12H22N2O4S
Molecular Weight290.39 g/mol
Exact Mass290.13
IUPAC NameN-(2-ethoxyethyl)-5-(ethylaminomethyl)-N-methylfuran-2-sulfonamide
SMILESCCNCc1ccc(S(=O)(=O)N(C)CCOCC)o1
InChIInChI=1S/C12H22N2O4S/c1-4-13-10-11-6-7-12(18-11)19(15,16)14(3)8-9-17-5-2/h6-7,13H,4-5,8-10H2,1-3H3
InChIKeyDGOBKYPOIXAQQF-UHFFFAOYSA-N
XLogP1.05
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyethyl)-5-(ethylaminomethyl)-N-methylfuran-2-sulfonamide?
The IUPAC name of N-(2-ethoxyethyl)-5-(ethylaminomethyl)-N-methylfuran-2-sulfonamide (CID 81074904) is N-(2-ethoxyethyl)-5-(ethylaminomethyl)-N-methylfuran-2-sulfonamide.
What is the SMILES notation for N-(2-ethoxyethyl)-5-(ethylaminomethyl)-N-methylfuran-2-sulfonamide?
The canonical SMILES for N-(2-ethoxyethyl)-5-(ethylaminomethyl)-N-methylfuran-2-sulfonamide is CCNCc1ccc(S(=O)(=O)N(C)CCOCC)o1.
What is the InChIKey of N-(2-ethoxyethyl)-5-(ethylaminomethyl)-N-methylfuran-2-sulfonamide?
The InChIKey is DGOBKYPOIXAQQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O4S/c1-4-13-10-11-6-7-12(18-11)19(15,16)14(3)8-9-17-5-2/h6-7,13H,4-5,8-10H2,1-3H3.
What are the key properties of N-(2-ethoxyethyl)-5-(ethylaminomethyl)-N-methylfuran-2-sulfonamide?
N-(2-ethoxyethyl)-5-(ethylaminomethyl)-N-methylfuran-2-sulfonamide has a molecular weight of 290.39 g/mol, XLogP of 1.05, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyethyl)-5-(ethylaminomethyl)-N-methylfuran-2-sulfonamide is sourced from PubChem (CID 81074904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).