N-[(4-bromophenyl)carbamothioyl]decanamide

C17H25BrN2OS — CID 4599509

IUPACN-[(4-bromophenyl)carbamothioyl]decanamide
SMILESCCCCCCCCCC(=O)NC(=S)Nc1ccc(Br)cc1
InChIInChI=1S/C17H25BrN2OS/c1-2-3-4-5-6-7-8-9-16(21)20-17(22)19-15-12-10-14(18)11-13-15/h10-13H,2-9H2,1H3,(H2,19,20,21,22)
InChIKeyUQGZWEHINXGSQX-UHFFFAOYSA-N
MW385.37 g/mol
LogP5.40
Rot. Bonds9

About N-[(4-bromophenyl)carbamothioyl]decanamide

N-[(4-bromophenyl)carbamothioyl]decanamide (PubChem CID 4599509) has the molecular formula C17H25BrN2OS and a molecular weight of 385.37 g/mol. Its IUPAC name is N-[(4-bromophenyl)carbamothioyl]decanamide.

Molecular Properties

Compound NameN-[(4-bromophenyl)carbamothioyl]decanamide
PubChem CID4599509
Molecular FormulaC17H25BrN2OS
Molecular Weight385.37 g/mol
Exact Mass384.09
IUPAC NameN-[(4-bromophenyl)carbamothioyl]decanamide
SMILESCCCCCCCCCC(=O)NC(=S)Nc1ccc(Br)cc1
InChIInChI=1S/C17H25BrN2OS/c1-2-3-4-5-6-7-8-9-16(21)20-17(22)19-15-12-10-14(18)11-13-15/h10-13H,2-9H2,1H3,(H2,19,20,21,22)
InChIKeyUQGZWEHINXGSQX-UHFFFAOYSA-N
XLogP5.40
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.37
LogP ≤ 55.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[(4-bromophenyl)carbamothioyl]decanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(4-bromophenyl)carbamothioyl]heptanamide
CID 54789223
N-[(4-bromophenyl)carbamothioyl]tetradecanamide
CID 54791999
N-[[4-(propanoylamino)phenyl]carbamothioyl]tetradecanamide
CID 54791172
N-[(4-fluorophenyl)carbamothioyl]tetradecanamide
CID 54792031
N-[(4-chlorophenyl)carbamothioyl]octanamide
CID 4958861
N-[(4-chlorophenyl)carbamothioyl]heptanamide
CID 54789157
N-[(4-acetylphenyl)carbamothioyl]tetradecanamide
CID 54791973
N-[(4-acetamidophenyl)carbamothioyl]pentanamide
CID 4925620
N-[(4-ethoxyphenyl)carbamothioyl]tetradecanamide
CID 54791972
N-[(4-cyanophenyl)carbamothioyl]octanamide
CID 4958873
N-[[4-(2-methylpropanoylamino)phenyl]carbamothioyl]hexanamide
CID 17100521
N-[(4-anilinophenyl)carbamothioyl]hexanamide
CID 4954014

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromophenyl)carbamothioyl]decanamide?
The IUPAC name of N-[(4-bromophenyl)carbamothioyl]decanamide (CID 4599509) is N-[(4-bromophenyl)carbamothioyl]decanamide.
What is the SMILES notation for N-[(4-bromophenyl)carbamothioyl]decanamide?
The canonical SMILES for N-[(4-bromophenyl)carbamothioyl]decanamide is CCCCCCCCCC(=O)NC(=S)Nc1ccc(Br)cc1.
What is the InChIKey of N-[(4-bromophenyl)carbamothioyl]decanamide?
The InChIKey is UQGZWEHINXGSQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25BrN2OS/c1-2-3-4-5-6-7-8-9-16(21)20-17(22)19-15-12-10-14(18)11-13-15/h10-13H,2-9H2,1H3,(H2,19,20,21,22).
What are the key properties of N-[(4-bromophenyl)carbamothioyl]decanamide?
N-[(4-bromophenyl)carbamothioyl]decanamide has a molecular weight of 385.37 g/mol, XLogP of 5.40, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromophenyl)carbamothioyl]decanamide is sourced from PubChem (CID 4599509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).