(2S)-2-[(5-bromothiophen-2-yl)sulfonylamino]-N-ethylpropanamide

C9H13BrN2O3S2 — CID 8802651

IUPAC(2S)-2-[(5-bromothiophen-2-yl)sulfonylamino]-N-ethylpropanamide
SMILESCCNC(=O)[C@H](C)NS(=O)(=O)c1ccc(Br)s1
InChIInChI=1S/C9H13BrN2O3S2/c1-3-11-9(13)6(2)12-17(14,15)8-5-4-7(10)16-8/h4-6,12H,3H2,1-2H3,(H,11,13)/t6-/m0/s1
InChIKeyZKZUHIASBYLSDM-LURJTMIESA-N
MW341.25 g/mol
LogP1.31
Rot. Bonds5

About (2S)-2-[(5-bromothiophen-2-yl)sulfonylamino]-N-ethylpropanamide

(2S)-2-[(5-bromothiophen-2-yl)sulfonylamino]-N-ethylpropanamide (PubChem CID 8802651) has the molecular formula C9H13BrN2O3S2 and a molecular weight of 341.25 g/mol. Its IUPAC name is (2S)-2-[(5-bromothiophen-2-yl)sulfonylamino]-N-ethylpropanamide.

Molecular Properties

Compound Name(2S)-2-[(5-bromothiophen-2-yl)sulfonylamino]-N-ethylpropanamide
PubChem CID8802651
Molecular FormulaC9H13BrN2O3S2
Molecular Weight341.25 g/mol
Exact Mass339.96
IUPAC Name(2S)-2-[(5-bromothiophen-2-yl)sulfonylamino]-N-ethylpropanamide
SMILESCCNC(=O)[C@H](C)NS(=O)(=O)c1ccc(Br)s1
InChIInChI=1S/C9H13BrN2O3S2/c1-3-11-9(13)6(2)12-17(14,15)8-5-4-7(10)16-8/h4-6,12H,3H2,1-2H3,(H,11,13)/t6-/m0/s1
InChIKeyZKZUHIASBYLSDM-LURJTMIESA-N
XLogP1.31
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.25
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-(3-ethylpentan-2-yl)thiophene-2-sulfonamide
CID 63836483
5-bromo-N-[(2R)-butan-2-yl]thiophene-2-sulfonamide
CID 848230
5-bromo-N-(1-hydroxy-3-methylbutan-2-yl)thiophene-2-sulfonamide
CID 22500840
2-[(5-bromothiophen-2-yl)sulfonylamino]-4-hydroxybutanoic acid
CID 61244964
5-bromo-N-(1,3-dihydroxypropan-2-yl)thiophene-2-sulfonamide
CID 65314645
5-bromo-N-(1-hydroxy-4-methylpentan-2-yl)thiophene-2-sulfonamide
CID 22500893
2-[(5-bromothiophen-2-yl)sulfonylamino]-4-methylsulfanylbutanoic acid
CID 43235784
(2R)-N-ethyl-2-[(4-fluorophenyl)sulfonylamino]propanamide
CID 51424939
5-bromo-N-(4-chlorobutan-2-yl)thiophene-2-sulfonamide
CID 83179426
5-bromo-N-(1-chlorobutan-2-yl)thiophene-2-sulfonamide
CID 65033663
(2S)-N-ethyl-2-[(2,3,4-trifluorophenyl)sulfonylamino]propanamide
CID 8802570
2-[(3-amino-4-bromophenyl)sulfonylamino]-N-ethylpropanamide
CID 115328810

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(5-bromothiophen-2-yl)sulfonylamino]-N-ethylpropanamide?
The IUPAC name of (2S)-2-[(5-bromothiophen-2-yl)sulfonylamino]-N-ethylpropanamide (CID 8802651) is (2S)-2-[(5-bromothiophen-2-yl)sulfonylamino]-N-ethylpropanamide.
What is the SMILES notation for (2S)-2-[(5-bromothiophen-2-yl)sulfonylamino]-N-ethylpropanamide?
The canonical SMILES for (2S)-2-[(5-bromothiophen-2-yl)sulfonylamino]-N-ethylpropanamide is CCNC(=O)[C@H](C)NS(=O)(=O)c1ccc(Br)s1.
What is the InChIKey of (2S)-2-[(5-bromothiophen-2-yl)sulfonylamino]-N-ethylpropanamide?
The InChIKey is ZKZUHIASBYLSDM-LURJTMIESA-N. The full InChI is InChI=1S/C9H13BrN2O3S2/c1-3-11-9(13)6(2)12-17(14,15)8-5-4-7(10)16-8/h4-6,12H,3H2,1-2H3,(H,11,13)/t6-/m0/s1.
What are the key properties of (2S)-2-[(5-bromothiophen-2-yl)sulfonylamino]-N-ethylpropanamide?
(2S)-2-[(5-bromothiophen-2-yl)sulfonylamino]-N-ethylpropanamide has a molecular weight of 341.25 g/mol, XLogP of 1.31, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(5-bromothiophen-2-yl)sulfonylamino]-N-ethylpropanamide is sourced from PubChem (CID 8802651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).