N-(2,4-dibromophenyl)-4-oxo-4-thiophen-2-ylbutanamide

C14H11Br2NO2S — CID 23249669

IUPACN-(2,4-dibromophenyl)-4-oxo-4-thiophen-2-ylbutanamide
SMILESO=C(CCC(=O)c1cccs1)Nc1ccc(Br)cc1Br
InChIInChI=1S/C14H11Br2NO2S/c15-9-3-4-11(10(16)8-9)17-14(19)6-5-12(18)13-2-1-7-20-13/h1-4,7-8H,5-6H2,(H,17,19)
InChIKeyYTRYMTUWCHGQDK-UHFFFAOYSA-N
MW417.12 g/mol
LogP4.87
Rot. Bonds5

About N-(2,4-dibromophenyl)-4-oxo-4-thiophen-2-ylbutanamide

N-(2,4-dibromophenyl)-4-oxo-4-thiophen-2-ylbutanamide (PubChem CID 23249669) has the molecular formula C14H11Br2NO2S and a molecular weight of 417.12 g/mol. Its IUPAC name is N-(2,4-dibromophenyl)-4-oxo-4-thiophen-2-ylbutanamide.

Molecular Properties

Compound NameN-(2,4-dibromophenyl)-4-oxo-4-thiophen-2-ylbutanamide
PubChem CID23249669
Molecular FormulaC14H11Br2NO2S
Molecular Weight417.12 g/mol
Exact Mass414.89
IUPAC NameN-(2,4-dibromophenyl)-4-oxo-4-thiophen-2-ylbutanamide
SMILESO=C(CCC(=O)c1cccs1)Nc1ccc(Br)cc1Br
InChIInChI=1S/C14H11Br2NO2S/c15-9-3-4-11(10(16)8-9)17-14(19)6-5-12(18)13-2-1-7-20-13/h1-4,7-8H,5-6H2,(H,17,19)
InChIKeyYTRYMTUWCHGQDK-UHFFFAOYSA-N
XLogP4.87
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.12
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,4-dimethylphenyl)-4-oxo-4-thiophen-2-ylbutanamide
CID 9342786
4-oxo-4-thiophen-2-yl-N-(2,3,4-trifluorophenyl)butanamide
CID 2379110
N-[(1S)-1-(4-bromophenyl)ethyl]-4-oxo-4-thiophen-2-ylbutanamide
CID 9218839
N-(4-methylphenyl)-4-oxo-4-thiophen-2-ylbutanamide
CID 954394
N-[3-[[4-(4-bromophenyl)-4-oxobutanoyl]amino]phenyl]thiophene-2-carboxamide
CID 31515825
N-(2,4-dibromophenyl)hexanamide
CID 4251482
3-(2,4-dibromoanilino)-3-oxopropanoic acid
CID 62230789
[2-(2,4-dibromoanilino)-2-oxoethyl] 4,5-dimethoxy-2-(thiophene-2-carbonylamino)benzoate
CID 23878484
tert-butyl 4-(2,4-dibromoanilino)-4-oxobutanoate
CID 106707168
N-(4-chloro-2-pyridinyl)-4-oxo-4-thiophen-2-ylbutanamide
CID 108796358
N-[3-(2-fluoro-5-methylanilino)-3-oxopropyl]-4-oxo-4-thiophen-2-ylbutanamide
CID 9455258
N-(2-bromo-4-fluorophenyl)thiophene-2-carboxamide
CID 28938543

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dibromophenyl)-4-oxo-4-thiophen-2-ylbutanamide?
The IUPAC name of N-(2,4-dibromophenyl)-4-oxo-4-thiophen-2-ylbutanamide (CID 23249669) is N-(2,4-dibromophenyl)-4-oxo-4-thiophen-2-ylbutanamide.
What is the SMILES notation for N-(2,4-dibromophenyl)-4-oxo-4-thiophen-2-ylbutanamide?
The canonical SMILES for N-(2,4-dibromophenyl)-4-oxo-4-thiophen-2-ylbutanamide is O=C(CCC(=O)c1cccs1)Nc1ccc(Br)cc1Br.
What is the InChIKey of N-(2,4-dibromophenyl)-4-oxo-4-thiophen-2-ylbutanamide?
The InChIKey is YTRYMTUWCHGQDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Br2NO2S/c15-9-3-4-11(10(16)8-9)17-14(19)6-5-12(18)13-2-1-7-20-13/h1-4,7-8H,5-6H2,(H,17,19).
What are the key properties of N-(2,4-dibromophenyl)-4-oxo-4-thiophen-2-ylbutanamide?
N-(2,4-dibromophenyl)-4-oxo-4-thiophen-2-ylbutanamide has a molecular weight of 417.12 g/mol, XLogP of 4.87, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dibromophenyl)-4-oxo-4-thiophen-2-ylbutanamide is sourced from PubChem (CID 23249669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).