5-bromo-N-(4-ethylsulfanylbutan-2-yl)-2-methylthiophene-3-sulfonamide

C11H18BrNO2S3 — CID 115690382

IUPAC5-bromo-N-(4-ethylsulfanylbutan-2-yl)-2-methylthiophene-3-sulfonamide
SMILESCCSCCC(C)NS(=O)(=O)c1cc(Br)sc1C
InChIInChI=1S/C11H18BrNO2S3/c1-4-16-6-5-8(2)13-18(14,15)10-7-11(12)17-9(10)3/h7-8,13H,4-6H2,1-3H3
InChIKeyOIVRPIQWEVXDQP-UHFFFAOYSA-N
MW372.38 g/mol
LogP3.63
Rot. Bonds7

About 5-bromo-N-(4-ethylsulfanylbutan-2-yl)-2-methylthiophene-3-sulfonamide

5-bromo-N-(4-ethylsulfanylbutan-2-yl)-2-methylthiophene-3-sulfonamide (PubChem CID 115690382) has the molecular formula C11H18BrNO2S3 and a molecular weight of 372.38 g/mol. Its IUPAC name is 5-bromo-N-(4-ethylsulfanylbutan-2-yl)-2-methylthiophene-3-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-(4-ethylsulfanylbutan-2-yl)-2-methylthiophene-3-sulfonamide
PubChem CID115690382
Molecular FormulaC11H18BrNO2S3
Molecular Weight372.38 g/mol
Exact Mass370.97
IUPAC Name5-bromo-N-(4-ethylsulfanylbutan-2-yl)-2-methylthiophene-3-sulfonamide
SMILESCCSCCC(C)NS(=O)(=O)c1cc(Br)sc1C
InChIInChI=1S/C11H18BrNO2S3/c1-4-16-6-5-8(2)13-18(14,15)10-7-11(12)17-9(10)3/h7-8,13H,4-6H2,1-3H3
InChIKeyOIVRPIQWEVXDQP-UHFFFAOYSA-N
XLogP3.63
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.38
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-(aminomethyl)-N-(4-ethylsulfanylbutan-2-yl)-2-methylthiophene-3-sulfonamide
CID 106084683
3-amino-5-bromo-N-(4-ethylsulfanylbutan-2-yl)-2-methylbenzenesulfonamide
CID 114380322
4-bromo-N-(4-ethylsulfanylbutan-2-yl)benzenesulfonamide
CID 115662743
N-(4-ethylsulfanylbutan-2-yl)-2,6-dimethyl-4-(methylamino)benzenesulfonamide
CID 107329229
5-bromo-2-methyl-N-(3-methylsulfanylbutyl)thiophene-3-sulfonamide
CID 115690352
(2R)-2-[(5-bromo-2-methylthiophen-3-yl)sulfonylamino]-4-methylsulfanylbutanoic acid
CID 104906673
3-(aminomethyl)-5-chloro-N-(4-ethylsulfanylbutan-2-yl)-2-methylbenzenesulfonamide
CID 106084701
5-bromo-2-methyl-N-[2-(methylamino)propyl]thiophene-3-sulfonamide;hydrochloride
CID 120825128
5-bromo-2-methyl-N-(3-methyl-2-propan-2-ylbutyl)thiophene-3-sulfonamide
CID 102907721
N-(4-ethylsulfanylbutan-2-yl)-2-methyl-3-(methylaminomethyl)benzenesulfonamide
CID 106084684
5-(aminomethyl)-N-(4-ethylsulfanylbutan-2-yl)-2-fluorobenzenesulfonamide
CID 106084609
5-(aminomethyl)-N-(4-ethylsulfanylbutan-2-yl)-2,3-difluorobenzenesulfonamide
CID 106084642

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(4-ethylsulfanylbutan-2-yl)-2-methylthiophene-3-sulfonamide?
The IUPAC name of 5-bromo-N-(4-ethylsulfanylbutan-2-yl)-2-methylthiophene-3-sulfonamide (CID 115690382) is 5-bromo-N-(4-ethylsulfanylbutan-2-yl)-2-methylthiophene-3-sulfonamide.
What is the SMILES notation for 5-bromo-N-(4-ethylsulfanylbutan-2-yl)-2-methylthiophene-3-sulfonamide?
The canonical SMILES for 5-bromo-N-(4-ethylsulfanylbutan-2-yl)-2-methylthiophene-3-sulfonamide is CCSCCC(C)NS(=O)(=O)c1cc(Br)sc1C.
What is the InChIKey of 5-bromo-N-(4-ethylsulfanylbutan-2-yl)-2-methylthiophene-3-sulfonamide?
The InChIKey is OIVRPIQWEVXDQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18BrNO2S3/c1-4-16-6-5-8(2)13-18(14,15)10-7-11(12)17-9(10)3/h7-8,13H,4-6H2,1-3H3.
What are the key properties of 5-bromo-N-(4-ethylsulfanylbutan-2-yl)-2-methylthiophene-3-sulfonamide?
5-bromo-N-(4-ethylsulfanylbutan-2-yl)-2-methylthiophene-3-sulfonamide has a molecular weight of 372.38 g/mol, XLogP of 3.63, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(4-ethylsulfanylbutan-2-yl)-2-methylthiophene-3-sulfonamide is sourced from PubChem (CID 115690382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).