4,5-dibromo-N-(2-bromoprop-2-enyl)thiophene-2-carboxamide

C8H6Br3NOS — CID 47439346

IUPAC4,5-dibromo-N-(2-bromoprop-2-enyl)thiophene-2-carboxamide
SMILESC=C(Br)CNC(=O)c1cc(Br)c(Br)s1
InChIInChI=1S/C8H6Br3NOS/c1-4(9)3-12-8(13)6-2-5(10)7(11)14-6/h2H,1,3H2,(H,12,13)
InChIKeyQYPMZWAYVYOIOP-UHFFFAOYSA-N
MW403.92 g/mol
LogP3.91
Rot. Bonds3

About 4,5-dibromo-N-(2-bromoprop-2-enyl)thiophene-2-carboxamide

4,5-dibromo-N-(2-bromoprop-2-enyl)thiophene-2-carboxamide (PubChem CID 47439346) has the molecular formula C8H6Br3NOS and a molecular weight of 403.92 g/mol. Its IUPAC name is 4,5-dibromo-N-(2-bromoprop-2-enyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name4,5-dibromo-N-(2-bromoprop-2-enyl)thiophene-2-carboxamide
PubChem CID47439346
Molecular FormulaC8H6Br3NOS
Molecular Weight403.92 g/mol
Exact Mass400.77
IUPAC Name4,5-dibromo-N-(2-bromoprop-2-enyl)thiophene-2-carboxamide
SMILESC=C(Br)CNC(=O)c1cc(Br)c(Br)s1
InChIInChI=1S/C8H6Br3NOS/c1-4(9)3-12-8(13)6-2-5(10)7(11)14-6/h2H,1,3H2,(H,12,13)
InChIKeyQYPMZWAYVYOIOP-UHFFFAOYSA-N
XLogP3.91
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.92
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-amino-2-oxoethyl)-4,5-dibromothiophene-2-carboxamide
CID 60668533
N-(2-amino-2-hydroxyiminoethyl)-4,5-dibromothiophene-2-carboxamide
CID 80538790
1-(4,5-dibromothiophen-2-yl)-3-methylbut-3-en-1-one
CID 115780483
4,5-dibromo-N-butylthiophene-2-carboxamide
CID 29203844
N-(3-aminopropyl)-4,5-dibromothiophene-2-carboxamide
CID 80537023
4,5-dibromo-N-[2-(2-bromoethoxy)ethyl]thiophene-2-carboxamide
CID 114309271
4,5-dibromo-N-(3,3-dimethylbutyl)thiophene-2-carboxamide
CID 38983446
(2S)-3-[(4,5-dibromothiophene-2-carbonyl)amino]-2-hydroxypropanoic acid
CID 107833654
4,5-dibromo-N-[(4-bromophenyl)methyl]thiophene-2-carboxamide
CID 80536714
N-(2-bromoprop-2-enyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide
CID 47439040
4,5-dibromo-N-[(2-hydroxycyclohexyl)methyl]thiophene-2-carboxamide
CID 64929121
4,5-dibromo-N-decylthiophene-2-carboxamide
CID 80536454

Frequently Asked Questions

What is the IUPAC name of 4,5-dibromo-N-(2-bromoprop-2-enyl)thiophene-2-carboxamide?
The IUPAC name of 4,5-dibromo-N-(2-bromoprop-2-enyl)thiophene-2-carboxamide (CID 47439346) is 4,5-dibromo-N-(2-bromoprop-2-enyl)thiophene-2-carboxamide.
What is the SMILES notation for 4,5-dibromo-N-(2-bromoprop-2-enyl)thiophene-2-carboxamide?
The canonical SMILES for 4,5-dibromo-N-(2-bromoprop-2-enyl)thiophene-2-carboxamide is C=C(Br)CNC(=O)c1cc(Br)c(Br)s1.
What is the InChIKey of 4,5-dibromo-N-(2-bromoprop-2-enyl)thiophene-2-carboxamide?
The InChIKey is QYPMZWAYVYOIOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6Br3NOS/c1-4(9)3-12-8(13)6-2-5(10)7(11)14-6/h2H,1,3H2,(H,12,13).
What are the key properties of 4,5-dibromo-N-(2-bromoprop-2-enyl)thiophene-2-carboxamide?
4,5-dibromo-N-(2-bromoprop-2-enyl)thiophene-2-carboxamide has a molecular weight of 403.92 g/mol, XLogP of 3.91, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dibromo-N-(2-bromoprop-2-enyl)thiophene-2-carboxamide is sourced from PubChem (CID 47439346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).