3-[(5-bromothiophen-2-yl)sulfonylamino]-N-methylpropanamide

C8H11BrN2O3S2 — CID 61060598

IUPAC3-[(5-bromothiophen-2-yl)sulfonylamino]-N-methylpropanamide
SMILESCNC(=O)CCNS(=O)(=O)c1ccc(Br)s1
InChIInChI=1S/C8H11BrN2O3S2/c1-10-7(12)4-5-11-16(13,14)8-3-2-6(9)15-8/h2-3,11H,4-5H2,1H3,(H,10,12)
InChIKeySYRGLAIGDVXBGI-UHFFFAOYSA-N
MW327.23 g/mol
LogP0.93
Rot. Bonds5

About 3-[(5-bromothiophen-2-yl)sulfonylamino]-N-methylpropanamide

3-[(5-bromothiophen-2-yl)sulfonylamino]-N-methylpropanamide (PubChem CID 61060598) has the molecular formula C8H11BrN2O3S2 and a molecular weight of 327.23 g/mol. Its IUPAC name is 3-[(5-bromothiophen-2-yl)sulfonylamino]-N-methylpropanamide.

Molecular Properties

Compound Name3-[(5-bromothiophen-2-yl)sulfonylamino]-N-methylpropanamide
PubChem CID61060598
Molecular FormulaC8H11BrN2O3S2
Molecular Weight327.23 g/mol
Exact Mass325.94
IUPAC Name3-[(5-bromothiophen-2-yl)sulfonylamino]-N-methylpropanamide
SMILESCNC(=O)CCNS(=O)(=O)c1ccc(Br)s1
InChIInChI=1S/C8H11BrN2O3S2/c1-10-7(12)4-5-11-16(13,14)8-3-2-6(9)15-8/h2-3,11H,4-5H2,1H3,(H,10,12)
InChIKeySYRGLAIGDVXBGI-UHFFFAOYSA-N
XLogP0.93
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.23
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(5-bromothiophen-2-yl)sulfonylamino]propanoate
CID 4084125
2-[5-[[3-(methylamino)-3-oxopropyl]sulfamoyl]thiophen-2-yl]acetic acid
CID 61067934
3-[(5-bromothiophen-2-yl)sulfonylamino]-N-cyclohexylpropanamide
CID 5240506
3-[(5-bromothiophen-2-yl)sulfonylamino]-N-(thiophen-2-ylmethyl)propanamide
CID 4194172
2-[(5-bromothiophen-2-yl)sulfonylamino]-N-propan-2-ylacetamide
CID 9189604
2-[(5-bromothiophen-2-yl)sulfonylamino]-N-[2-(dimethylamino)ethyl]acetamide
CID 112991518
N-(2-aminooxyethyl)-5-bromothiophene-2-sulfonamide
CID 39423764
5-bromo-N-(4-methylsulfanylbutyl)thiophene-2-sulfonamide
CID 115638717
5-bromo-N-[3-(2-methoxyethoxy)propyl]thiophene-2-sulfonamide
CID 51249234
5-bromo-N-(3-hydroxy-2-methylpropyl)thiophene-2-sulfonamide
CID 65034614
5-bromo-N-(5-bromo-4-methylpentyl)thiophene-2-sulfonamide
CID 106158682
5-bromo-N-[2-(methylamino)propyl]thiophene-2-sulfonamide;hydrochloride
CID 120824454

Frequently Asked Questions

What is the IUPAC name of 3-[(5-bromothiophen-2-yl)sulfonylamino]-N-methylpropanamide?
The IUPAC name of 3-[(5-bromothiophen-2-yl)sulfonylamino]-N-methylpropanamide (CID 61060598) is 3-[(5-bromothiophen-2-yl)sulfonylamino]-N-methylpropanamide.
What is the SMILES notation for 3-[(5-bromothiophen-2-yl)sulfonylamino]-N-methylpropanamide?
The canonical SMILES for 3-[(5-bromothiophen-2-yl)sulfonylamino]-N-methylpropanamide is CNC(=O)CCNS(=O)(=O)c1ccc(Br)s1.
What is the InChIKey of 3-[(5-bromothiophen-2-yl)sulfonylamino]-N-methylpropanamide?
The InChIKey is SYRGLAIGDVXBGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11BrN2O3S2/c1-10-7(12)4-5-11-16(13,14)8-3-2-6(9)15-8/h2-3,11H,4-5H2,1H3,(H,10,12).
What are the key properties of 3-[(5-bromothiophen-2-yl)sulfonylamino]-N-methylpropanamide?
3-[(5-bromothiophen-2-yl)sulfonylamino]-N-methylpropanamide has a molecular weight of 327.23 g/mol, XLogP of 0.93, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-bromothiophen-2-yl)sulfonylamino]-N-methylpropanamide is sourced from PubChem (CID 61060598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).