2-bromo-5-(tert-butylsulfamoyl)-N-(3-ethoxypropyl)benzamide

C16H25BrN2O4S — CID 32886231

IUPAC2-bromo-5-(tert-butylsulfamoyl)-N-(3-ethoxypropyl)benzamide
SMILESCCOCCCNC(=O)c1cc(S(=O)(=O)NC(C)(C)C)ccc1Br
InChIInChI=1S/C16H25BrN2O4S/c1-5-23-10-6-9-18-15(20)13-11-12(7-8-14(13)17)24(21,22)19-16(2,3)4/h7-8,11,19H,5-6,9-10H2,1-4H3,(H,18,20)
InChIKeyLGWDCUPATUAWGU-UHFFFAOYSA-N
MW421.36 g/mol
LogP2.68
Rot. Bonds8

About 2-bromo-5-(tert-butylsulfamoyl)-N-(3-ethoxypropyl)benzamide

2-bromo-5-(tert-butylsulfamoyl)-N-(3-ethoxypropyl)benzamide (PubChem CID 32886231) has the molecular formula C16H25BrN2O4S and a molecular weight of 421.36 g/mol. Its IUPAC name is 2-bromo-5-(tert-butylsulfamoyl)-N-(3-ethoxypropyl)benzamide.

Molecular Properties

Compound Name2-bromo-5-(tert-butylsulfamoyl)-N-(3-ethoxypropyl)benzamide
PubChem CID32886231
Molecular FormulaC16H25BrN2O4S
Molecular Weight421.36 g/mol
Exact Mass420.07
IUPAC Name2-bromo-5-(tert-butylsulfamoyl)-N-(3-ethoxypropyl)benzamide
SMILESCCOCCCNC(=O)c1cc(S(=O)(=O)NC(C)(C)C)ccc1Br
InChIInChI=1S/C16H25BrN2O4S/c1-5-23-10-6-9-18-15(20)13-11-12(7-8-14(13)17)24(21,22)19-16(2,3)4/h7-8,11,19H,5-6,9-10H2,1-4H3,(H,18,20)
InChIKeyLGWDCUPATUAWGU-UHFFFAOYSA-N
XLogP2.68
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.36
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-5-(tert-butylsulfamoyl)-N-prop-2-ynylbenzamide
CID 32693294
2-bromo-5-(tert-butylsulfamoyl)-N-[3-(N-ethylanilino)propyl]benzamide
CID 32795071
2-bromo-N-(3-ethoxypropyl)-5-fluorobenzamide
CID 24703752
2-chloro-N-(3-ethoxypropyl)-5-(methylsulfamoyl)benzamide
CID 51165018
2-bromo-5-(tert-butylsulfamoyl)-N-[(2R)-pentan-2-yl]benzamide
CID 32537367
N-(3-ethoxypropyl)-5-(2-methoxyethylsulfamoyl)-2-methylbenzamide
CID 43002878
2,4-dibromo-N-(3-ethoxypropyl)benzamide
CID 103882188
2-bromo-5-(tert-butylsulfamoyl)-N-pyridin-4-ylbenzamide
CID 32896855
2-bromo-N-(2-methoxyethyl)-5-sulfamoylbenzamide
CID 31540706
4-bromo-N-(3-ethoxypropyl)-3-hydroxybenzamide
CID 103830425
5-(tert-butylsulfamoyl)-2-methyl-N-(3-methylbutyl)benzamide
CID 35515135
5-(tert-butylsulfamoyl)-N-[3-(2,5-dioxopyrrolidin-1-yl)propyl]-2-methylbenzamide
CID 56558667

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-(tert-butylsulfamoyl)-N-(3-ethoxypropyl)benzamide?
The IUPAC name of 2-bromo-5-(tert-butylsulfamoyl)-N-(3-ethoxypropyl)benzamide (CID 32886231) is 2-bromo-5-(tert-butylsulfamoyl)-N-(3-ethoxypropyl)benzamide.
What is the SMILES notation for 2-bromo-5-(tert-butylsulfamoyl)-N-(3-ethoxypropyl)benzamide?
The canonical SMILES for 2-bromo-5-(tert-butylsulfamoyl)-N-(3-ethoxypropyl)benzamide is CCOCCCNC(=O)c1cc(S(=O)(=O)NC(C)(C)C)ccc1Br.
What is the InChIKey of 2-bromo-5-(tert-butylsulfamoyl)-N-(3-ethoxypropyl)benzamide?
The InChIKey is LGWDCUPATUAWGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25BrN2O4S/c1-5-23-10-6-9-18-15(20)13-11-12(7-8-14(13)17)24(21,22)19-16(2,3)4/h7-8,11,19H,5-6,9-10H2,1-4H3,(H,18,20).
What are the key properties of 2-bromo-5-(tert-butylsulfamoyl)-N-(3-ethoxypropyl)benzamide?
2-bromo-5-(tert-butylsulfamoyl)-N-(3-ethoxypropyl)benzamide has a molecular weight of 421.36 g/mol, XLogP of 2.68, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-(tert-butylsulfamoyl)-N-(3-ethoxypropyl)benzamide is sourced from PubChem (CID 32886231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).