2-[(5-bromothiophen-2-yl)sulfonylamino]-N-(2-methoxyethyl)benzamide

C14H15BrN2O4S2 — CID 2210754

IUPAC2-[(5-bromothiophen-2-yl)sulfonylamino]-N-(2-methoxyethyl)benzamide
SMILESCOCCNC(=O)c1ccccc1NS(=O)(=O)c1ccc(Br)s1
InChIInChI=1S/C14H15BrN2O4S2/c1-21-9-8-16-14(18)10-4-2-3-5-11(10)17-23(19,20)13-7-6-12(15)22-13/h2-7,17H,8-9H2,1H3,(H,16,18)
InChIKeyIVFLTOSIHDAZJY-UHFFFAOYSA-N
MW419.32 g/mol
LogP2.69
Rot. Bonds7

About 2-[(5-bromothiophen-2-yl)sulfonylamino]-N-(2-methoxyethyl)benzamide

2-[(5-bromothiophen-2-yl)sulfonylamino]-N-(2-methoxyethyl)benzamide (PubChem CID 2210754) has the molecular formula C14H15BrN2O4S2 and a molecular weight of 419.32 g/mol. Its IUPAC name is 2-[(5-bromothiophen-2-yl)sulfonylamino]-N-(2-methoxyethyl)benzamide.

Molecular Properties

Compound Name2-[(5-bromothiophen-2-yl)sulfonylamino]-N-(2-methoxyethyl)benzamide
PubChem CID2210754
Molecular FormulaC14H15BrN2O4S2
Molecular Weight419.32 g/mol
Exact Mass417.97
IUPAC Name2-[(5-bromothiophen-2-yl)sulfonylamino]-N-(2-methoxyethyl)benzamide
SMILESCOCCNC(=O)c1ccccc1NS(=O)(=O)c1ccc(Br)s1
InChIInChI=1S/C14H15BrN2O4S2/c1-21-9-8-16-14(18)10-4-2-3-5-11(10)17-23(19,20)13-7-6-12(15)22-13/h2-7,17H,8-9H2,1H3,(H,16,18)
InChIKeyIVFLTOSIHDAZJY-UHFFFAOYSA-N
XLogP2.69
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.32
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-N-(4-methylphenyl)-4-(4-morpholinylsulfonyl)-2-thiophenecarboxamide
CID 992214
5-bromo-N-[2-(4-morpholinylcarbonyl)phenyl]-2-thiophenesulfonamide
CID 1284913
N,N-diethyl-2-[(thiophen-2-ylsulfonyl)amino]benzamide
CID 6461716
2-{[(5-bromo-2-thienyl)sulfonyl]amino}-N-isopropylbenzamide
CID 1210804
5-bromo-N-[2-(1-pyrrolidinylcarbonyl)phenyl]-2-thiophenesulfonamide
CID 1305910
2-[(4-bromophenyl)sulfonylamino]-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide
CID 3265222
2-(5-Bromo-thiophene-2-sulfonylamino)-N-(tetrahydro-furan-2-ylmethyl)-benzamide
CID 6494047
N-[[5-[[5-bromo-2-(piperidine-1-carbonyl)phenyl]sulfamoyl]thiophen-2-yl]methyl]benzamide
CID 44445283
N-[2-(morpholine-4-carbonyl)phenyl]thiophene-2-sulfonamide
CID 1021998
N-(tetrahydrofuran-2-ylmethyl)-2-[(thiophen-2-ylsulfonyl)amino]benzamide
CID 6493689
2-[(4-bromo-5-chlorothiophen-2-yl)sulfonylamino]-N,N-diethylbenzamide
CID 172435917
N-benzyl-2-[(5-bromothiophen-2-yl)sulfonylamino]benzamide
CID 1006877

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromothiophen-2-yl)sulfonylamino]-N-(2-methoxyethyl)benzamide?
The IUPAC name of 2-[(5-bromothiophen-2-yl)sulfonylamino]-N-(2-methoxyethyl)benzamide (CID 2210754) is 2-[(5-bromothiophen-2-yl)sulfonylamino]-N-(2-methoxyethyl)benzamide.
What is the SMILES notation for 2-[(5-bromothiophen-2-yl)sulfonylamino]-N-(2-methoxyethyl)benzamide?
The canonical SMILES for 2-[(5-bromothiophen-2-yl)sulfonylamino]-N-(2-methoxyethyl)benzamide is COCCNC(=O)c1ccccc1NS(=O)(=O)c1ccc(Br)s1.
What is the InChIKey of 2-[(5-bromothiophen-2-yl)sulfonylamino]-N-(2-methoxyethyl)benzamide?
The InChIKey is IVFLTOSIHDAZJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O4S2/c1-21-9-8-16-14(18)10-4-2-3-5-11(10)17-23(19,20)13-7-6-12(15)22-13/h2-7,17H,8-9H2,1H3,(H,16,18).
What are the key properties of 2-[(5-bromothiophen-2-yl)sulfonylamino]-N-(2-methoxyethyl)benzamide?
2-[(5-bromothiophen-2-yl)sulfonylamino]-N-(2-methoxyethyl)benzamide has a molecular weight of 419.32 g/mol, XLogP of 2.69, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromothiophen-2-yl)sulfonylamino]-N-(2-methoxyethyl)benzamide is sourced from PubChem (CID 2210754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).