2-(5-bromothiophen-2-yl)-N-(2-decylpentadecyl)-2-oxoacetamide

C31H54BrNO2S — CID 153005615

IUPAC2-(5-bromothiophen-2-yl)-N-(2-decylpentadecyl)-2-oxoacetamide
SMILESCCCCCCCCCCCCCC(CCCCCCCCCC)CNC(=O)C(=O)c1ccc(Br)s1
InChIInChI=1S/C31H54BrNO2S/c1-3-5-7-9-11-13-14-15-17-19-21-23-27(22-20-18-16-12-10-8-6-4-2)26-33-31(35)30(34)28-24-25-29(32)36-28/h24-25,27H,3-23,26H2,1-2H3,(H,33,35)
InChIKeyUZAMDNBMLRCMRX-UHFFFAOYSA-N
MW584.75 g/mol
LogP10.66
Rot. Bonds25

About 2-(5-bromothiophen-2-yl)-N-(2-decylpentadecyl)-2-oxoacetamide

2-(5-bromothiophen-2-yl)-N-(2-decylpentadecyl)-2-oxoacetamide (PubChem CID 153005615) has the molecular formula C31H54BrNO2S and a molecular weight of 584.75 g/mol. Its IUPAC name is 2-(5-bromothiophen-2-yl)-N-(2-decylpentadecyl)-2-oxoacetamide.

Molecular Properties

Compound Name2-(5-bromothiophen-2-yl)-N-(2-decylpentadecyl)-2-oxoacetamide
PubChem CID153005615
Molecular FormulaC31H54BrNO2S
Molecular Weight584.75 g/mol
Exact Mass583.31
IUPAC Name2-(5-bromothiophen-2-yl)-N-(2-decylpentadecyl)-2-oxoacetamide
SMILESCCCCCCCCCCCCCC(CCCCCCCCCC)CNC(=O)C(=O)c1ccc(Br)s1
InChIInChI=1S/C31H54BrNO2S/c1-3-5-7-9-11-13-14-15-17-19-21-23-27(22-20-18-16-12-10-8-6-4-2)26-33-31(35)30(34)28-24-25-29(32)36-28/h24-25,27H,3-23,26H2,1-2H3,(H,33,35)
InChIKeyUZAMDNBMLRCMRX-UHFFFAOYSA-N
XLogP10.66
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds25
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500584.75
LogP ≤ 510.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-N-(2-ethylbutyl)thiophene-2-carboxamide
CID 84545370
1-(5-bromothiophen-2-yl)octan-1-one
CID 63492200
2-(5-bromothiophen-2-yl)-N-tert-butyl-2-oxoacetamide
CID 82124453
2-(5-bromothiophen-2-yl)-2-oxo-N-prop-2-enylacetamide
CID 82124082
2-[(5-bromothiophen-2-yl)methyl]-N-methyloctanamide
CID 67148163
N-[(E)-1-(5-bromothiophen-2-yl)ethylideneamino]decanamide
CID 6299261
2-bromo-5-[5-[5-[5-(2-octyldodecyl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene
CID 24746553
5-bromo-N,N-dipropylthiophene-2-carboxamide
CID 60635948
2-bromo-5-(1-bromoheptyl)thiophene
CID 114753618
N-[1-(5-bromothiophen-2-yl)ethylideneamino]hexanamide
CID 4120530
5-bromo-N-(3-bromo-2-methylpropyl)thiophene-2-carboxamide
CID 114313311
1-(5-bromothiophen-2-yl)-N-methyldodecan-1-amine
CID 65447449

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromothiophen-2-yl)-N-(2-decylpentadecyl)-2-oxoacetamide?
The IUPAC name of 2-(5-bromothiophen-2-yl)-N-(2-decylpentadecyl)-2-oxoacetamide (CID 153005615) is 2-(5-bromothiophen-2-yl)-N-(2-decylpentadecyl)-2-oxoacetamide.
What is the SMILES notation for 2-(5-bromothiophen-2-yl)-N-(2-decylpentadecyl)-2-oxoacetamide?
The canonical SMILES for 2-(5-bromothiophen-2-yl)-N-(2-decylpentadecyl)-2-oxoacetamide is CCCCCCCCCCCCCC(CCCCCCCCCC)CNC(=O)C(=O)c1ccc(Br)s1.
What is the InChIKey of 2-(5-bromothiophen-2-yl)-N-(2-decylpentadecyl)-2-oxoacetamide?
The InChIKey is UZAMDNBMLRCMRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H54BrNO2S/c1-3-5-7-9-11-13-14-15-17-19-21-23-27(22-20-18-16-12-10-8-6-4-2)26-33-31(35)30(34)28-24-25-29(32)36-28/h24-25,27H,3-23,26H2,1-2H3,(H,33,35).
What are the key properties of 2-(5-bromothiophen-2-yl)-N-(2-decylpentadecyl)-2-oxoacetamide?
2-(5-bromothiophen-2-yl)-N-(2-decylpentadecyl)-2-oxoacetamide has a molecular weight of 584.75 g/mol, XLogP of 10.66, 25 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromothiophen-2-yl)-N-(2-decylpentadecyl)-2-oxoacetamide is sourced from PubChem (CID 153005615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).