2-bromo-N-ethyl-5-sulfamoyl-N-(thiophen-2-ylmethyl)benzamide

C14H15BrN2O3S2 — CID 33031977

IUPAC2-bromo-N-ethyl-5-sulfamoyl-N-(thiophen-2-ylmethyl)benzamide
SMILESCCN(Cc1cccs1)C(=O)c1cc(S(N)(=O)=O)ccc1Br
InChIInChI=1S/C14H15BrN2O3S2/c1-2-17(9-10-4-3-7-21-10)14(18)12-8-11(22(16,19)20)5-6-13(12)15/h3-8H,2,9H2,1H3,(H2,16,19,20)
InChIKeyHYLKPDKEPKYVHL-UHFFFAOYSA-N
MW403.32 g/mol
LogP2.82
Rot. Bonds5

About 2-bromo-N-ethyl-5-sulfamoyl-N-(thiophen-2-ylmethyl)benzamide

2-bromo-N-ethyl-5-sulfamoyl-N-(thiophen-2-ylmethyl)benzamide (PubChem CID 33031977) has the molecular formula C14H15BrN2O3S2 and a molecular weight of 403.32 g/mol. Its IUPAC name is 2-bromo-N-ethyl-5-sulfamoyl-N-(thiophen-2-ylmethyl)benzamide.

Molecular Properties

Compound Name2-bromo-N-ethyl-5-sulfamoyl-N-(thiophen-2-ylmethyl)benzamide
PubChem CID33031977
Molecular FormulaC14H15BrN2O3S2
Molecular Weight403.32 g/mol
Exact Mass401.97
IUPAC Name2-bromo-N-ethyl-5-sulfamoyl-N-(thiophen-2-ylmethyl)benzamide
SMILESCCN(Cc1cccs1)C(=O)c1cc(S(N)(=O)=O)ccc1Br
InChIInChI=1S/C14H15BrN2O3S2/c1-2-17(9-10-4-3-7-21-10)14(18)12-8-11(22(16,19)20)5-6-13(12)15/h3-8H,2,9H2,1H3,(H2,16,19,20)
InChIKeyHYLKPDKEPKYVHL-UHFFFAOYSA-N
XLogP2.82
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.32
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromo-N-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-5-sulfamoylbenzamide
CID 55586408
4,5-dibromo-N-ethyl-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide
CID 32581945
N-ethyl-2,4-dihydroxy-N-(thiophen-2-ylmethyl)benzamide
CID 103602482
N-ethyl-2-hydroxy-5-methyl-N-(thiophen-2-ylmethyl)benzamide
CID 60655389
4-chloro-N-ethyl-2-hydroxy-N-(thiophen-2-ylmethyl)benzamide
CID 60655635
5-(dimethylsulfamoyl)-N-ethyl-2-piperidin-1-yl-N-(thiophen-2-ylmethyl)benzamide
CID 134014499
3-amino-N-ethyl-N-(thiophen-2-ylmethyl)benzamide
CID 60940215
[2-oxo-2-(thiophen-2-ylmethylcarbamoylamino)ethyl] 2-bromo-5-sulfamoylbenzoate
CID 27271058
2-chloro-N-ethyl-N-(thiophen-2-ylmethyl)furan-3-carboxamide
CID 106686239
N-ethyl-2-fluoro-4-methyl-N-(thiophen-2-ylmethyl)benzamide
CID 79770274
2-chloro-N-ethyl-5-sulfanyl-N-(thiophen-2-ylmethyl)benzamide
CID 107024588
2-amino-N-ethyl-3-fluoro-N-(thiophen-2-ylmethyl)benzamide
CID 62660536

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-ethyl-5-sulfamoyl-N-(thiophen-2-ylmethyl)benzamide?
The IUPAC name of 2-bromo-N-ethyl-5-sulfamoyl-N-(thiophen-2-ylmethyl)benzamide (CID 33031977) is 2-bromo-N-ethyl-5-sulfamoyl-N-(thiophen-2-ylmethyl)benzamide.
What is the SMILES notation for 2-bromo-N-ethyl-5-sulfamoyl-N-(thiophen-2-ylmethyl)benzamide?
The canonical SMILES for 2-bromo-N-ethyl-5-sulfamoyl-N-(thiophen-2-ylmethyl)benzamide is CCN(Cc1cccs1)C(=O)c1cc(S(N)(=O)=O)ccc1Br.
What is the InChIKey of 2-bromo-N-ethyl-5-sulfamoyl-N-(thiophen-2-ylmethyl)benzamide?
The InChIKey is HYLKPDKEPKYVHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O3S2/c1-2-17(9-10-4-3-7-21-10)14(18)12-8-11(22(16,19)20)5-6-13(12)15/h3-8H,2,9H2,1H3,(H2,16,19,20).
What are the key properties of 2-bromo-N-ethyl-5-sulfamoyl-N-(thiophen-2-ylmethyl)benzamide?
2-bromo-N-ethyl-5-sulfamoyl-N-(thiophen-2-ylmethyl)benzamide has a molecular weight of 403.32 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-ethyl-5-sulfamoyl-N-(thiophen-2-ylmethyl)benzamide is sourced from PubChem (CID 33031977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).