N-[(4-bromothiophen-2-yl)methyl]dodecanamide

C17H28BrNOS — CID 65426710

IUPACN-[(4-bromothiophen-2-yl)methyl]dodecanamide
SMILESCCCCCCCCCCCC(=O)NCc1cc(Br)cs1
InChIInChI=1S/C17H28BrNOS/c1-2-3-4-5-6-7-8-9-10-11-17(20)19-13-16-12-15(18)14-21-16/h12,14H,2-11,13H2,1H3,(H,19,20)
InChIKeyXVRCYJQXIDPBCG-UHFFFAOYSA-N
MW374.39 g/mol
LogP6.05
Rot. Bonds12

About N-[(4-bromothiophen-2-yl)methyl]dodecanamide

N-[(4-bromothiophen-2-yl)methyl]dodecanamide (PubChem CID 65426710) has the molecular formula C17H28BrNOS and a molecular weight of 374.39 g/mol. Its IUPAC name is N-[(4-bromothiophen-2-yl)methyl]dodecanamide.

Molecular Properties

Compound NameN-[(4-bromothiophen-2-yl)methyl]dodecanamide
PubChem CID65426710
Molecular FormulaC17H28BrNOS
Molecular Weight374.39 g/mol
Exact Mass373.11
IUPAC NameN-[(4-bromothiophen-2-yl)methyl]dodecanamide
SMILESCCCCCCCCCCCC(=O)NCc1cc(Br)cs1
InChIInChI=1S/C17H28BrNOS/c1-2-3-4-5-6-7-8-9-10-11-17(20)19-13-16-12-15(18)14-21-16/h12,14H,2-11,13H2,1H3,(H,19,20)
InChIKeyXVRCYJQXIDPBCG-UHFFFAOYSA-N
XLogP6.05
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.39
LogP ≤ 56.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-bromothiophen-2-yl)methyl]-4-(2-ethoxyphenoxy)butanamide
CID 55801604
N-[(4-bromophenyl)methyl]octanamide
CID 60582799
N-[(4-bromothiophen-2-yl)methyl]-2-methylsulfanylacetamide
CID 47250162
2-(4-bromothiophen-2-yl)-N-butylacetamide
CID 110769883
N-[[4-[(octanoylamino)methyl]phenyl]methyl]octanamide
CID 3350050
N-[(5-bromo-2-fluorophenyl)methyl]nonanamide
CID 65427676
1-(4-bromothiophen-2-yl)hexan-2-one
CID 79404796
N-[(5-bromothiophen-2-yl)methyl]pentanamide
CID 60738185
N-[[3-[(henicosanoylamino)methyl]phenyl]methyl]henicosanamide
CID 101291080
N-[[2-[(tricosanoylamino)methyl]phenyl]methyl]tricosanamide
CID 101291084
N-[(2,4,5-trimethylphenyl)methyl]tetradecanamide
CID 4525427
N-[(4-bromothiophen-2-yl)methyl]-2-pyrazol-1-ylacetamide
CID 47250379

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromothiophen-2-yl)methyl]dodecanamide?
The IUPAC name of N-[(4-bromothiophen-2-yl)methyl]dodecanamide (CID 65426710) is N-[(4-bromothiophen-2-yl)methyl]dodecanamide.
What is the SMILES notation for N-[(4-bromothiophen-2-yl)methyl]dodecanamide?
The canonical SMILES for N-[(4-bromothiophen-2-yl)methyl]dodecanamide is CCCCCCCCCCCC(=O)NCc1cc(Br)cs1.
What is the InChIKey of N-[(4-bromothiophen-2-yl)methyl]dodecanamide?
The InChIKey is XVRCYJQXIDPBCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28BrNOS/c1-2-3-4-5-6-7-8-9-10-11-17(20)19-13-16-12-15(18)14-21-16/h12,14H,2-11,13H2,1H3,(H,19,20).
What are the key properties of N-[(4-bromothiophen-2-yl)methyl]dodecanamide?
N-[(4-bromothiophen-2-yl)methyl]dodecanamide has a molecular weight of 374.39 g/mol, XLogP of 6.05, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromothiophen-2-yl)methyl]dodecanamide is sourced from PubChem (CID 65426710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).