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

C12H21BrN2O3S2 — CID 106080012

IUPAC2-bromo-5-(ethylaminomethyl)-N-(2-methoxy-2-methylpropyl)thiophene-3-sulfonamide
SMILESCCNCc1cc(S(=O)(=O)NCC(C)(C)OC)c(Br)s1
InChIInChI=1S/C12H21BrN2O3S2/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
InChIKeyGPKFRKPANNAWOC-UHFFFAOYSA-N
MW385.35 g/mol
LogP2.32
Rot. Bonds8

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

2-bromo-5-(ethylaminomethyl)-N-(2-methoxy-2-methylpropyl)thiophene-3-sulfonamide (PubChem CID 106080012) has the molecular formula C12H21BrN2O3S2 and a molecular weight of 385.35 g/mol. Its IUPAC name is 2-bromo-5-(ethylaminomethyl)-N-(2-methoxy-2-methylpropyl)thiophene-3-sulfonamide.

Molecular Properties

Compound Name2-bromo-5-(ethylaminomethyl)-N-(2-methoxy-2-methylpropyl)thiophene-3-sulfonamide
PubChem CID106080012
Molecular FormulaC12H21BrN2O3S2
Molecular Weight385.35 g/mol
Exact Mass384.02
IUPAC Name2-bromo-5-(ethylaminomethyl)-N-(2-methoxy-2-methylpropyl)thiophene-3-sulfonamide
SMILESCCNCc1cc(S(=O)(=O)NCC(C)(C)OC)c(Br)s1
InChIInChI=1S/C12H21BrN2O3S2/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
InChIKeyGPKFRKPANNAWOC-UHFFFAOYSA-N
XLogP2.32
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.35
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-4-[(2-methoxy-2-methylpropyl)sulfamoyl]thiophene-2-carboxylic acid
CID 113437801
2-bromo-5-(ethylaminomethyl)-N-(2-methoxy-2-methylpropyl)furan-3-sulfonamide
CID 106079980
2-bromo-N-(2-ethoxy-2-methylpropyl)-5-(methylaminomethyl)thiophene-3-sulfonamide
CID 106086828
2-bromo-5-(ethylaminomethyl)-N-[(1-methoxycyclobutyl)methyl]thiophene-3-sulfonamide
CID 106091004
2-bromo-5-(ethylaminomethyl)-N-[2-[methyl(propan-2-yl)amino]ethyl]thiophene-3-sulfonamide
CID 106055664
2-bromo-5-(ethylaminomethyl)-N-(3-fluoropropyl)thiophene-3-sulfonamide
CID 114267253
N-(2-ethoxy-2-methylpropyl)-5-(ethylaminomethyl)-2-methylthiophene-3-sulfonamide
CID 106086831
2-bromo-5-(ethylaminomethyl)-N-(oxan-4-ylmethyl)thiophene-3-sulfonamide
CID 106063014
2-bromo-N-(2,2-dimethylbutyl)-5-(hydroxymethyl)thiophene-3-sulfonamide
CID 103465918
2-bromo-5-(ethylaminomethyl)-N-(2-thiophen-3-ylethyl)thiophene-3-sulfonamide
CID 106050019
2-bromo-5-(ethylaminomethyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]thiophene-3-sulfonamide
CID 106015443
2-bromo-N-[1-(dimethylamino)propan-2-yl]-5-(ethylaminomethyl)thiophene-3-sulfonamide
CID 106074422

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-(ethylaminomethyl)-N-(2-methoxy-2-methylpropyl)thiophene-3-sulfonamide?
The IUPAC name of 2-bromo-5-(ethylaminomethyl)-N-(2-methoxy-2-methylpropyl)thiophene-3-sulfonamide (CID 106080012) is 2-bromo-5-(ethylaminomethyl)-N-(2-methoxy-2-methylpropyl)thiophene-3-sulfonamide.
What is the SMILES notation for 2-bromo-5-(ethylaminomethyl)-N-(2-methoxy-2-methylpropyl)thiophene-3-sulfonamide?
The canonical SMILES for 2-bromo-5-(ethylaminomethyl)-N-(2-methoxy-2-methylpropyl)thiophene-3-sulfonamide is CCNCc1cc(S(=O)(=O)NCC(C)(C)OC)c(Br)s1.
What is the InChIKey of 2-bromo-5-(ethylaminomethyl)-N-(2-methoxy-2-methylpropyl)thiophene-3-sulfonamide?
The InChIKey is GPKFRKPANNAWOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21BrN2O3S2/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)thiophene-3-sulfonamide?
2-bromo-5-(ethylaminomethyl)-N-(2-methoxy-2-methylpropyl)thiophene-3-sulfonamide has a molecular weight of 385.35 g/mol, XLogP of 2.32, 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)thiophene-3-sulfonamide is sourced from PubChem (CID 106080012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).