2,5-dibromo-N-(3-bromopropyl)-N-ethylthiophene-3-carboxamide

C10H12Br3NOS — CID 107966256

IUPAC2,5-dibromo-N-(3-bromopropyl)-N-ethylthiophene-3-carboxamide
SMILESCCN(CCCBr)C(=O)c1cc(Br)sc1Br
InChIInChI=1S/C10H12Br3NOS/c1-2-14(5-3-4-11)10(15)7-6-8(12)16-9(7)13/h6H,2-5H2,1H3
InChIKeyPGWJZZLICUBSSJ-UHFFFAOYSA-N
MW433.99 g/mol
LogP4.52
Rot. Bonds5

About 2,5-dibromo-N-(3-bromopropyl)-N-ethylthiophene-3-carboxamide

2,5-dibromo-N-(3-bromopropyl)-N-ethylthiophene-3-carboxamide (PubChem CID 107966256) has the molecular formula C10H12Br3NOS and a molecular weight of 433.99 g/mol. Its IUPAC name is 2,5-dibromo-N-(3-bromopropyl)-N-ethylthiophene-3-carboxamide.

Molecular Properties

Compound Name2,5-dibromo-N-(3-bromopropyl)-N-ethylthiophene-3-carboxamide
PubChem CID107966256
Molecular FormulaC10H12Br3NOS
Molecular Weight433.99 g/mol
Exact Mass430.82
IUPAC Name2,5-dibromo-N-(3-bromopropyl)-N-ethylthiophene-3-carboxamide
SMILESCCN(CCCBr)C(=O)c1cc(Br)sc1Br
InChIInChI=1S/C10H12Br3NOS/c1-2-14(5-3-4-11)10(15)7-6-8(12)16-9(7)13/h6H,2-5H2,1H3
InChIKeyPGWJZZLICUBSSJ-UHFFFAOYSA-N
XLogP4.52
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.99
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,5-dibromo-N-[2-(2-bromoethoxy)ethyl]-N-ethylthiophene-3-carboxamide
CID 114263913
2,5-dibromo-N,N-diethylthiophene-3-carboxamide
CID 103672324
2,5-dibromo-N-ethyl-N-(2-ethylbutyl)thiophene-3-carboxamide
CID 114021292
2,5-dibromo-N-(2-bromoethyl)-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide
CID 107966465
N-(2-amino-2-sulfanylideneethyl)-2,5-dibromo-N-propylthiophene-3-carboxamide
CID 114021243
2,5-dibromo-N-[3-(dimethylamino)propyl]-N-methylthiophene-3-carboxamide
CID 103918751
1-(2,5-dibromothiophen-3-yl)-2-[ethyl(propyl)amino]ethanone
CID 43795311
N-(3-bromopropyl)-N-ethyl-2-fluoro-4-hydroxybenzamide
CID 107677720
5-bromo-N-ethyl-N-(3-hydroxypropyl)thiophene-3-carboxamide
CID 115771703
3-bromo-N-(3-bromopropyl)-5-chloro-N-ethylbenzamide
CID 107941380
4,5-dibromo-N-[3-(diethylamino)propyl]-N-ethylthiophene-2-carboxamide
CID 102993490
N-[(2-aminophenyl)methyl]-2,5-dibromo-N-propylthiophene-3-carboxamide
CID 107959325

Frequently Asked Questions

What is the IUPAC name of 2,5-dibromo-N-(3-bromopropyl)-N-ethylthiophene-3-carboxamide?
The IUPAC name of 2,5-dibromo-N-(3-bromopropyl)-N-ethylthiophene-3-carboxamide (CID 107966256) is 2,5-dibromo-N-(3-bromopropyl)-N-ethylthiophene-3-carboxamide.
What is the SMILES notation for 2,5-dibromo-N-(3-bromopropyl)-N-ethylthiophene-3-carboxamide?
The canonical SMILES for 2,5-dibromo-N-(3-bromopropyl)-N-ethylthiophene-3-carboxamide is CCN(CCCBr)C(=O)c1cc(Br)sc1Br.
What is the InChIKey of 2,5-dibromo-N-(3-bromopropyl)-N-ethylthiophene-3-carboxamide?
The InChIKey is PGWJZZLICUBSSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12Br3NOS/c1-2-14(5-3-4-11)10(15)7-6-8(12)16-9(7)13/h6H,2-5H2,1H3.
What are the key properties of 2,5-dibromo-N-(3-bromopropyl)-N-ethylthiophene-3-carboxamide?
2,5-dibromo-N-(3-bromopropyl)-N-ethylthiophene-3-carboxamide has a molecular weight of 433.99 g/mol, XLogP of 4.52, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dibromo-N-(3-bromopropyl)-N-ethylthiophene-3-carboxamide is sourced from PubChem (CID 107966256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).