2,4-dibromo-N-(2-methoxyethyl)-N-(thiolan-3-yl)benzamide

C14H17Br2NO2S — CID 103883157

IUPAC2,4-dibromo-N-(2-methoxyethyl)-N-(thiolan-3-yl)benzamide
SMILESCOCCN(C(=O)c1ccc(Br)cc1Br)C1CCSC1
InChIInChI=1S/C14H17Br2NO2S/c1-19-6-5-17(11-4-7-20-9-11)14(18)12-3-2-10(15)8-13(12)16/h2-3,8,11H,4-7,9H2,1H3
InChIKeyBHCJKUQWRFPRMQ-UHFFFAOYSA-N
MW423.17 g/mol
LogP3.81
Rot. Bonds5

About 2,4-dibromo-N-(2-methoxyethyl)-N-(thiolan-3-yl)benzamide

2,4-dibromo-N-(2-methoxyethyl)-N-(thiolan-3-yl)benzamide (PubChem CID 103883157) has the molecular formula C14H17Br2NO2S and a molecular weight of 423.17 g/mol. Its IUPAC name is 2,4-dibromo-N-(2-methoxyethyl)-N-(thiolan-3-yl)benzamide.

Molecular Properties

Compound Name2,4-dibromo-N-(2-methoxyethyl)-N-(thiolan-3-yl)benzamide
PubChem CID103883157
Molecular FormulaC14H17Br2NO2S
Molecular Weight423.17 g/mol
Exact Mass420.93
IUPAC Name2,4-dibromo-N-(2-methoxyethyl)-N-(thiolan-3-yl)benzamide
SMILESCOCCN(C(=O)c1ccc(Br)cc1Br)C1CCSC1
InChIInChI=1S/C14H17Br2NO2S/c1-19-6-5-17(11-4-7-20-9-11)14(18)12-3-2-10(15)8-13(12)16/h2-3,8,11H,4-7,9H2,1H3
InChIKeyBHCJKUQWRFPRMQ-UHFFFAOYSA-N
XLogP3.81
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.17
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-2-chloro-N-(2-methoxyethyl)-N-(thiolan-3-yl)benzamide
CID 103988564
2-amino-4-bromo-N-cyclopropyl-N-(2-methoxyethyl)benzamide
CID 79720140
2-bromo-6-fluoro-N-(2-methoxyethyl)-N-(thiolan-3-yl)benzamide
CID 114559503
5-bromo-N-(2-methoxyethyl)-4-methyl-N-(thiolan-3-yl)thiophene-2-carboxamide
CID 79930252
4-bromo-1-cyclopropyl-N-(2-methoxyethyl)-N-(thiolan-3-yl)pyrrole-2-carboxamide
CID 60955201
3-amino-N-(2-methoxyethyl)-2-methyl-N-(thiolan-3-yl)benzamide
CID 61106398
4-amino-N-(2-methoxyethyl)-3-methyl-N-(thiolan-3-yl)benzamide
CID 60945101
4-amino-N-(2-methoxyethyl)-1-methyl-N-(thiolan-3-yl)pyrrole-2-carboxamide
CID 61106233
2-bromo-4-[cyclopropyl(2-methoxyethyl)carbamoyl]benzoic acid
CID 166289589
3-amino-N-(2-methoxyethyl)-N-(thiolan-3-yl)-1H-pyrazole-5-carboxamide
CID 64523862
4-amino-1-ethyl-N-(2-methoxyethyl)-N-(thiolan-3-yl)pyrrole-2-carboxamide
CID 61106234
3-amino-2,6-difluoro-N-(2-methoxyethyl)-N-(thiolan-3-yl)benzamide
CID 79759087

Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-N-(2-methoxyethyl)-N-(thiolan-3-yl)benzamide?
The IUPAC name of 2,4-dibromo-N-(2-methoxyethyl)-N-(thiolan-3-yl)benzamide (CID 103883157) is 2,4-dibromo-N-(2-methoxyethyl)-N-(thiolan-3-yl)benzamide.
What is the SMILES notation for 2,4-dibromo-N-(2-methoxyethyl)-N-(thiolan-3-yl)benzamide?
The canonical SMILES for 2,4-dibromo-N-(2-methoxyethyl)-N-(thiolan-3-yl)benzamide is COCCN(C(=O)c1ccc(Br)cc1Br)C1CCSC1.
What is the InChIKey of 2,4-dibromo-N-(2-methoxyethyl)-N-(thiolan-3-yl)benzamide?
The InChIKey is BHCJKUQWRFPRMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Br2NO2S/c1-19-6-5-17(11-4-7-20-9-11)14(18)12-3-2-10(15)8-13(12)16/h2-3,8,11H,4-7,9H2,1H3.
What are the key properties of 2,4-dibromo-N-(2-methoxyethyl)-N-(thiolan-3-yl)benzamide?
2,4-dibromo-N-(2-methoxyethyl)-N-(thiolan-3-yl)benzamide has a molecular weight of 423.17 g/mol, XLogP of 3.81, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-N-(2-methoxyethyl)-N-(thiolan-3-yl)benzamide is sourced from PubChem (CID 103883157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).