2-[(5-bromo-2-methylthiophen-3-yl)sulfonylamino]-N-tert-butylpropanamide

C12H19BrN2O3S2 — CID 115690344

IUPAC2-[(5-bromo-2-methylthiophen-3-yl)sulfonylamino]-N-tert-butylpropanamide
SMILESCc1sc(Br)cc1S(=O)(=O)NC(C)C(=O)NC(C)(C)C
InChIInChI=1S/C12H19BrN2O3S2/c1-7(11(16)14-12(3,4)5)15-20(17,18)9-6-10(13)19-8(9)2/h6-7,15H,1-5H3,(H,14,16)
InChIKeyIAFHFOWDVCHQHB-UHFFFAOYSA-N
MW383.33 g/mol
LogP2.40
Rot. Bonds4

About 2-[(5-bromo-2-methylthiophen-3-yl)sulfonylamino]-N-tert-butylpropanamide

2-[(5-bromo-2-methylthiophen-3-yl)sulfonylamino]-N-tert-butylpropanamide (PubChem CID 115690344) has the molecular formula C12H19BrN2O3S2 and a molecular weight of 383.33 g/mol. Its IUPAC name is 2-[(5-bromo-2-methylthiophen-3-yl)sulfonylamino]-N-tert-butylpropanamide.

Molecular Properties

Compound Name2-[(5-bromo-2-methylthiophen-3-yl)sulfonylamino]-N-tert-butylpropanamide
PubChem CID115690344
Molecular FormulaC12H19BrN2O3S2
Molecular Weight383.33 g/mol
Exact Mass382.00
IUPAC Name2-[(5-bromo-2-methylthiophen-3-yl)sulfonylamino]-N-tert-butylpropanamide
SMILESCc1sc(Br)cc1S(=O)(=O)NC(C)C(=O)NC(C)(C)C
InChIInChI=1S/C12H19BrN2O3S2/c1-7(11(16)14-12(3,4)5)15-20(17,18)9-6-10(13)19-8(9)2/h6-7,15H,1-5H3,(H,14,16)
InChIKeyIAFHFOWDVCHQHB-UHFFFAOYSA-N
XLogP2.40
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.33
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(5-bromo-4-chlorothiophen-2-yl)sulfonylamino]-N-tert-butylpropanamide
CID 115685414
(2S)-N-tert-butyl-2-[(4-methylphenyl)sulfonylamino]propanamide
CID 40563910
5-methyl-4-[[1-(methylamino)-1-oxopropan-2-yl]sulfamoyl]thiophene-2-carboxylic acid
CID 63329090
(2S)-2-[(5-bromo-2-methylthiophen-3-yl)sulfonylamino]-2-phenylacetic acid
CID 103862420
5-bromo-2-methyl-N-(3-methyl-2-propan-2-ylbutyl)thiophene-3-sulfonamide
CID 102907721
5-[(5-bromo-2-methylthiophen-3-yl)sulfonylamino]-4-methylpentanoic acid
CID 82683810
5-bromo-N-(3,3-difluoro-2-hydroxypropyl)-2-methylthiophene-3-sulfonamide
CID 113318784
3-[(5-bromo-2-methylthiophen-3-yl)sulfonylamino]-2,2-dimethylpropanamide
CID 106279848
(2R)-2-[(5-bromo-2-methylthiophen-3-yl)sulfonylamino]-4-methylsulfanylbutanoic acid
CID 104906673
5-bromo-N-(4-ethylsulfanylbutan-2-yl)-2-methylthiophene-3-sulfonamide
CID 115690382
5-bromo-N-(4-hydroxy-2,5-dimethylphenyl)-2-methylthiophene-3-sulfonamide
CID 106831927
5-bromo-2-methyl-N-[2-(methylamino)propyl]thiophene-3-sulfonamide;hydrochloride
CID 120825128

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-2-methylthiophen-3-yl)sulfonylamino]-N-tert-butylpropanamide?
The IUPAC name of 2-[(5-bromo-2-methylthiophen-3-yl)sulfonylamino]-N-tert-butylpropanamide (CID 115690344) is 2-[(5-bromo-2-methylthiophen-3-yl)sulfonylamino]-N-tert-butylpropanamide.
What is the SMILES notation for 2-[(5-bromo-2-methylthiophen-3-yl)sulfonylamino]-N-tert-butylpropanamide?
The canonical SMILES for 2-[(5-bromo-2-methylthiophen-3-yl)sulfonylamino]-N-tert-butylpropanamide is Cc1sc(Br)cc1S(=O)(=O)NC(C)C(=O)NC(C)(C)C.
What is the InChIKey of 2-[(5-bromo-2-methylthiophen-3-yl)sulfonylamino]-N-tert-butylpropanamide?
The InChIKey is IAFHFOWDVCHQHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19BrN2O3S2/c1-7(11(16)14-12(3,4)5)15-20(17,18)9-6-10(13)19-8(9)2/h6-7,15H,1-5H3,(H,14,16).
What are the key properties of 2-[(5-bromo-2-methylthiophen-3-yl)sulfonylamino]-N-tert-butylpropanamide?
2-[(5-bromo-2-methylthiophen-3-yl)sulfonylamino]-N-tert-butylpropanamide has a molecular weight of 383.33 g/mol, XLogP of 2.40, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromo-2-methylthiophen-3-yl)sulfonylamino]-N-tert-butylpropanamide is sourced from PubChem (CID 115690344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).