2-bromo-5-(ethylaminomethyl)-N-(2-methoxy-2-methylpropyl)furan-3-sulfonamide

C12H21BrN2O4S — CID 106079980

IUPAC2-bromo-5-(ethylaminomethyl)-N-(2-methoxy-2-methylpropyl)furan-3-sulfonamide
SMILESCCNCc1cc(S(=O)(=O)NCC(C)(C)OC)c(Br)o1
InChIInChI=1S/C12H21BrN2O4S/c1-5-14-7-9-6-10(11(13)19-9)20(16,17)15-8-12(2,3)18-4/h6,14-15H,5,7-8H2,1-4H3
InChIKeyIXBCECBISRNTFO-UHFFFAOYSA-N
MW369.28 g/mol
LogP1.85
Rot. Bonds8

About 2-bromo-5-(ethylaminomethyl)-N-(2-methoxy-2-methylpropyl)furan-3-sulfonamide

2-bromo-5-(ethylaminomethyl)-N-(2-methoxy-2-methylpropyl)furan-3-sulfonamide (PubChem CID 106079980) has the molecular formula C12H21BrN2O4S and a molecular weight of 369.28 g/mol. Its IUPAC name is 2-bromo-5-(ethylaminomethyl)-N-(2-methoxy-2-methylpropyl)furan-3-sulfonamide.

Molecular Properties

Compound Name2-bromo-5-(ethylaminomethyl)-N-(2-methoxy-2-methylpropyl)furan-3-sulfonamide
PubChem CID106079980
Molecular FormulaC12H21BrN2O4S
Molecular Weight369.28 g/mol
Exact Mass368.04
IUPAC Name2-bromo-5-(ethylaminomethyl)-N-(2-methoxy-2-methylpropyl)furan-3-sulfonamide
SMILESCCNCc1cc(S(=O)(=O)NCC(C)(C)OC)c(Br)o1
InChIInChI=1S/C12H21BrN2O4S/c1-5-14-7-9-6-10(11(13)19-9)20(16,17)15-8-12(2,3)18-4/h6,14-15H,5,7-8H2,1-4H3
InChIKeyIXBCECBISRNTFO-UHFFFAOYSA-N
XLogP1.85
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.28
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-bromo-5-(ethylaminomethyl)-N-(2-methoxy-2-methylpropyl)thiophene-3-sulfonamide
CID 106080012
2-bromo-5-(ethylaminomethyl)-N-[2-(2-methoxyethoxy)ethyl]furan-3-sulfonamide
CID 106051221
2-bromo-5-(ethylaminomethyl)-N-(2-methylsulfanylethyl)furan-3-sulfonamide
CID 114141319
2-bromo-N-(2-butoxyethyl)-5-(ethylaminomethyl)furan-3-sulfonamide
CID 106017578
2-bromo-N-(2,2-dimethylbutyl)-5-(methylaminomethyl)furan-3-sulfonamide
CID 103466005
2-bromo-5-(ethylaminomethyl)-N-(4-methoxybutan-2-yl)furan-3-sulfonamide
CID 106067533
2-bromo-5-(ethylaminomethyl)-N-(1H-1,2,4-triazol-5-ylmethyl)furan-3-sulfonamide
CID 106013304
2-bromo-N-(1,4-dioxan-2-ylmethyl)-5-(ethylaminomethyl)furan-3-sulfonamide
CID 106016690
2-bromo-N-(1,4-dithian-2-ylmethyl)-5-(ethylaminomethyl)furan-3-sulfonamide
CID 106078422
3-(ethylaminomethyl)-N-(2-methoxy-2-methylpropyl)-4-methylbenzenesulfonamide
CID 106079964
5-(aminomethyl)-N-(2-methoxy-2-methylpropyl)-2-methylfuran-3-sulfonamide
CID 106079921
2-bromo-5-(ethylaminomethyl)-N-(3-iodophenyl)furan-3-sulfonamide
CID 106029405

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-(ethylaminomethyl)-N-(2-methoxy-2-methylpropyl)furan-3-sulfonamide?
The IUPAC name of 2-bromo-5-(ethylaminomethyl)-N-(2-methoxy-2-methylpropyl)furan-3-sulfonamide (CID 106079980) is 2-bromo-5-(ethylaminomethyl)-N-(2-methoxy-2-methylpropyl)furan-3-sulfonamide.
What is the SMILES notation for 2-bromo-5-(ethylaminomethyl)-N-(2-methoxy-2-methylpropyl)furan-3-sulfonamide?
The canonical SMILES for 2-bromo-5-(ethylaminomethyl)-N-(2-methoxy-2-methylpropyl)furan-3-sulfonamide is CCNCc1cc(S(=O)(=O)NCC(C)(C)OC)c(Br)o1.
What is the InChIKey of 2-bromo-5-(ethylaminomethyl)-N-(2-methoxy-2-methylpropyl)furan-3-sulfonamide?
The InChIKey is IXBCECBISRNTFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21BrN2O4S/c1-5-14-7-9-6-10(11(13)19-9)20(16,17)15-8-12(2,3)18-4/h6,14-15H,5,7-8H2,1-4H3.
What are the key properties of 2-bromo-5-(ethylaminomethyl)-N-(2-methoxy-2-methylpropyl)furan-3-sulfonamide?
2-bromo-5-(ethylaminomethyl)-N-(2-methoxy-2-methylpropyl)furan-3-sulfonamide has a molecular weight of 369.28 g/mol, XLogP of 1.85, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-(ethylaminomethyl)-N-(2-methoxy-2-methylpropyl)furan-3-sulfonamide is sourced from PubChem (CID 106079980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).