5-bromo-N-[(4-bromo-2-methylphenyl)carbamothioyl]naphthalene-1-carboxamide

C19H14Br2N2OS — CID 17112344

IUPAC5-bromo-N-[(4-bromo-2-methylphenyl)carbamothioyl]naphthalene-1-carboxamide
SMILESCc1cc(Br)ccc1NC(=S)NC(=O)c1cccc2c(Br)cccc12
InChIInChI=1S/C19H14Br2N2OS/c1-11-10-12(20)8-9-17(11)22-19(25)23-18(24)15-6-2-5-14-13(15)4-3-7-16(14)21/h2-10H,1H3,(H2,22,23,24,25)
InChIKeyQOEASVVWESHGBA-UHFFFAOYSA-N
MW478.21 g/mol
LogP5.80
Rot. Bonds2

About 5-bromo-N-[(4-bromo-2-methylphenyl)carbamothioyl]naphthalene-1-carboxamide

5-bromo-N-[(4-bromo-2-methylphenyl)carbamothioyl]naphthalene-1-carboxamide (PubChem CID 17112344) has the molecular formula C19H14Br2N2OS and a molecular weight of 478.21 g/mol. Its IUPAC name is 5-bromo-N-[(4-bromo-2-methylphenyl)carbamothioyl]naphthalene-1-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[(4-bromo-2-methylphenyl)carbamothioyl]naphthalene-1-carboxamide
PubChem CID17112344
Molecular FormulaC19H14Br2N2OS
Molecular Weight478.21 g/mol
Exact Mass475.92
IUPAC Name5-bromo-N-[(4-bromo-2-methylphenyl)carbamothioyl]naphthalene-1-carboxamide
SMILESCc1cc(Br)ccc1NC(=S)NC(=O)c1cccc2c(Br)cccc12
InChIInChI=1S/C19H14Br2N2OS/c1-11-10-12(20)8-9-17(11)22-19(25)23-18(24)15-6-2-5-14-13(15)4-3-7-16(14)21/h2-10H,1H3,(H2,22,23,24,25)
InChIKeyQOEASVVWESHGBA-UHFFFAOYSA-N
XLogP5.80
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.21
LogP ≤ 55.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-bromo-N-[(4-bromo-2-methylphenyl)carbamothioyl]naphthalene-1-carboxamide 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

5-bromo-N-(4-bromo-2-methylphenyl)naphthalene-1-carboxamide
CID 3475796
4-[(5-bromonaphthalene-1-carbonyl)carbamothioylamino]-3-methylbenzoic acid
CID 91673644
5-bromo-2-[(5-bromonaphthalene-1-carbonyl)carbamothioylamino]benzoic acid
CID 4513114
5-bromo-N-[(2-hydroxy-4,5-dimethylphenyl)carbamothioyl]naphthalene-1-carboxamide
CID 1345965
5-bromo-N-[(3-bromo-4-hydroxy-5-methylphenyl)carbamothioyl]naphthalene-1-carboxamide
CID 91674612
5-bromo-N-[[2-methyl-4-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]carbamothioyl]naphthalene-1-carboxamide
CID 3970551
5-bromo-N-[[4-(3-ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-2-methylphenyl]carbamothioyl]naphthalene-1-carboxamide
CID 17314369
5-bromo-N-[[2-(4-chlorophenyl)-6-methylbenzotriazol-5-yl]carbamothioyl]naphthalene-1-carboxamide
CID 17314343
N-[(4-bromo-2-iodophenyl)carbamothioyl]-5-chloronaphthalene-1-carboxamide
CID 3568567
5-bromo-N-[(3,5-dichlorophenyl)carbamothioyl]naphthalene-1-carboxamide
CID 2202028
2-bromo-N-[[4-(diethylamino)-2-methylphenyl]carbamothioyl]benzamide
CID 22777334
N-[3-[(4-bromo-2-methylphenyl)carbamothioylamino]phenyl]-2-hydroxybenzamide
CID 2725437

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(4-bromo-2-methylphenyl)carbamothioyl]naphthalene-1-carboxamide?
The IUPAC name of 5-bromo-N-[(4-bromo-2-methylphenyl)carbamothioyl]naphthalene-1-carboxamide (CID 17112344) is 5-bromo-N-[(4-bromo-2-methylphenyl)carbamothioyl]naphthalene-1-carboxamide.
What is the SMILES notation for 5-bromo-N-[(4-bromo-2-methylphenyl)carbamothioyl]naphthalene-1-carboxamide?
The canonical SMILES for 5-bromo-N-[(4-bromo-2-methylphenyl)carbamothioyl]naphthalene-1-carboxamide is Cc1cc(Br)ccc1NC(=S)NC(=O)c1cccc2c(Br)cccc12.
What is the InChIKey of 5-bromo-N-[(4-bromo-2-methylphenyl)carbamothioyl]naphthalene-1-carboxamide?
The InChIKey is QOEASVVWESHGBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14Br2N2OS/c1-11-10-12(20)8-9-17(11)22-19(25)23-18(24)15-6-2-5-14-13(15)4-3-7-16(14)21/h2-10H,1H3,(H2,22,23,24,25).
What are the key properties of 5-bromo-N-[(4-bromo-2-methylphenyl)carbamothioyl]naphthalene-1-carboxamide?
5-bromo-N-[(4-bromo-2-methylphenyl)carbamothioyl]naphthalene-1-carboxamide has a molecular weight of 478.21 g/mol, XLogP of 5.80, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(4-bromo-2-methylphenyl)carbamothioyl]naphthalene-1-carboxamide is sourced from PubChem (CID 17112344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).