2-(4-carbamothioylphenyl)-N-(2,4-dibromophenyl)acetamide

C15H12Br2N2OS — CID 63591399

IUPAC2-(4-carbamothioylphenyl)-N-(2,4-dibromophenyl)acetamide
SMILESNC(=S)c1ccc(CC(=O)Nc2ccc(Br)cc2Br)cc1
InChIInChI=1S/C15H12Br2N2OS/c16-11-5-6-13(12(17)8-11)19-14(20)7-9-1-3-10(4-2-9)15(18)21/h1-6,8H,7H2,(H2,18,21)(H,19,20)
InChIKeyHYEKBWVBESGQTP-UHFFFAOYSA-N
MW428.15 g/mol
LogP4.03
Rot. Bonds4

About 2-(4-carbamothioylphenyl)-N-(2,4-dibromophenyl)acetamide

2-(4-carbamothioylphenyl)-N-(2,4-dibromophenyl)acetamide (PubChem CID 63591399) has the molecular formula C15H12Br2N2OS and a molecular weight of 428.15 g/mol. Its IUPAC name is 2-(4-carbamothioylphenyl)-N-(2,4-dibromophenyl)acetamide.

Molecular Properties

Compound Name2-(4-carbamothioylphenyl)-N-(2,4-dibromophenyl)acetamide
PubChem CID63591399
Molecular FormulaC15H12Br2N2OS
Molecular Weight428.15 g/mol
Exact Mass425.90
IUPAC Name2-(4-carbamothioylphenyl)-N-(2,4-dibromophenyl)acetamide
SMILESNC(=S)c1ccc(CC(=O)Nc2ccc(Br)cc2Br)cc1
InChIInChI=1S/C15H12Br2N2OS/c16-11-5-6-13(12(17)8-11)19-14(20)7-9-1-3-10(4-2-9)15(18)21/h1-6,8H,7H2,(H2,18,21)(H,19,20)
InChIKeyHYEKBWVBESGQTP-UHFFFAOYSA-N
XLogP4.03
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.15
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-bromo-5-chlorophenyl)-2-(4-carbamothioylphenyl)acetamide
CID 81268674
N-(2-bromo-4-carbamothioylphenyl)propanamide
CID 107789663
N-(2-bromo-4-carbamothioylphenyl)-2-(2-chlorophenyl)acetamide
CID 107789853
N-(5-bromo-2-carbamothioylphenyl)-2-(4-methylphenyl)acetamide
CID 107798636
2-(4-carbamothioylphenyl)-N-(4-chloro-2-iodophenyl)acetamide
CID 107626033
N-(2-bromo-4-carbamothioylphenyl)-3-phenylpropanamide
CID 107789510
2-(4-carbamothioylphenyl)-N-(2-chlorophenyl)acetamide
CID 63590322
3-(2,4-dibromoanilino)-3-oxopropanoic acid
CID 62230789
4-bromo-N-(2-bromo-4-carbamothioylphenyl)-2-hydroxybenzamide
CID 107789542
N-(2-bromo-6-fluorophenyl)-2-(4-carbamothioylphenyl)acetamide
CID 107600467
4-bromo-N-(2-bromo-4-carbamothioylphenyl)-2-chlorobenzamide
CID 107789911
N-(5-bromo-3-methyl-2-pyridinyl)-2-(4-carbamothioylphenyl)acetamide
CID 83164553

Frequently Asked Questions

What is the IUPAC name of 2-(4-carbamothioylphenyl)-N-(2,4-dibromophenyl)acetamide?
The IUPAC name of 2-(4-carbamothioylphenyl)-N-(2,4-dibromophenyl)acetamide (CID 63591399) is 2-(4-carbamothioylphenyl)-N-(2,4-dibromophenyl)acetamide.
What is the SMILES notation for 2-(4-carbamothioylphenyl)-N-(2,4-dibromophenyl)acetamide?
The canonical SMILES for 2-(4-carbamothioylphenyl)-N-(2,4-dibromophenyl)acetamide is NC(=S)c1ccc(CC(=O)Nc2ccc(Br)cc2Br)cc1.
What is the InChIKey of 2-(4-carbamothioylphenyl)-N-(2,4-dibromophenyl)acetamide?
The InChIKey is HYEKBWVBESGQTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Br2N2OS/c16-11-5-6-13(12(17)8-11)19-14(20)7-9-1-3-10(4-2-9)15(18)21/h1-6,8H,7H2,(H2,18,21)(H,19,20).
What are the key properties of 2-(4-carbamothioylphenyl)-N-(2,4-dibromophenyl)acetamide?
2-(4-carbamothioylphenyl)-N-(2,4-dibromophenyl)acetamide has a molecular weight of 428.15 g/mol, XLogP of 4.03, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-carbamothioylphenyl)-N-(2,4-dibromophenyl)acetamide is sourced from PubChem (CID 63591399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).