N-[(2-bromo-4-methylphenyl)carbamothioyl]-2-cyclopentylacetamide

C15H19BrN2OS — CID 54786588

IUPACN-[(2-bromo-4-methylphenyl)carbamothioyl]-2-cyclopentylacetamide
SMILESCc1ccc(NC(=S)NC(=O)CC2CCCC2)c(Br)c1
InChIInChI=1S/C15H19BrN2OS/c1-10-6-7-13(12(16)8-10)17-15(20)18-14(19)9-11-4-2-3-5-11/h6-8,11H,2-5,9H2,1H3,(H2,17,18,19,20)
InChIKeyITGRVUHXTLKZAU-UHFFFAOYSA-N
MW355.30 g/mol
LogP4.15
Rot. Bonds3

About N-[(2-bromo-4-methylphenyl)carbamothioyl]-2-cyclopentylacetamide

N-[(2-bromo-4-methylphenyl)carbamothioyl]-2-cyclopentylacetamide (PubChem CID 54786588) has the molecular formula C15H19BrN2OS and a molecular weight of 355.30 g/mol. Its IUPAC name is N-[(2-bromo-4-methylphenyl)carbamothioyl]-2-cyclopentylacetamide.

Molecular Properties

Compound NameN-[(2-bromo-4-methylphenyl)carbamothioyl]-2-cyclopentylacetamide
PubChem CID54786588
Molecular FormulaC15H19BrN2OS
Molecular Weight355.30 g/mol
Exact Mass354.04
IUPAC NameN-[(2-bromo-4-methylphenyl)carbamothioyl]-2-cyclopentylacetamide
SMILESCc1ccc(NC(=S)NC(=O)CC2CCCC2)c(Br)c1
InChIInChI=1S/C15H19BrN2OS/c1-10-6-7-13(12(16)8-10)17-15(20)18-14(19)9-11-4-2-3-5-11/h6-8,11H,2-5,9H2,1H3,(H2,17,18,19,20)
InChIKeyITGRVUHXTLKZAU-UHFFFAOYSA-N
XLogP4.15
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.30
LogP ≤ 54.15
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

2-cyclopentyl-N-[(2,4,6-trimethylphenyl)carbamothioyl]acetamide
CID 54786405
2-cyclopentyl-N-[(2,4-dichlorophenyl)carbamothioyl]acetamide
CID 54786307
N-[(2-bromo-4-methylphenyl)carbamothioyl]hexanamide
CID 54784813
N-(2-bromo-4-methylphenyl)cyclohexanecarboxamide
CID 3728666
2-cyclopentyl-N-[(2,6-dimethylphenyl)carbamothioyl]acetamide
CID 54786283
N-[(2-bromo-4-methylphenyl)carbamothioyl]-2-(2,5-dimethylphenoxy)acetamide
CID 1188241
2-methoxyethyl 4-[(2-bromo-4-methylphenyl)carbamothioylamino]-4-oxobutanoate
CID 54784712
N-[(2-bromo-4-methylphenyl)carbamothioyl]-2-naphthalen-1-ylacetamide
CID 54784453
N-[(2-bromo-4-methylphenyl)carbamothioyl]-4-(4-methylphenoxy)butanamide
CID 19188606
N-[(2-bromo-4-methylphenyl)carbamothioyl]-2-(3-methylphenoxy)acetamide
CID 19167845
2-cyclopentyl-N-(naphthalen-1-ylcarbamothioyl)acetamide
CID 54786425
N-(2-bromo-5-methylphenyl)-3-cyclopentylpropanamide
CID 82757064

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromo-4-methylphenyl)carbamothioyl]-2-cyclopentylacetamide?
The IUPAC name of N-[(2-bromo-4-methylphenyl)carbamothioyl]-2-cyclopentylacetamide (CID 54786588) is N-[(2-bromo-4-methylphenyl)carbamothioyl]-2-cyclopentylacetamide.
What is the SMILES notation for N-[(2-bromo-4-methylphenyl)carbamothioyl]-2-cyclopentylacetamide?
The canonical SMILES for N-[(2-bromo-4-methylphenyl)carbamothioyl]-2-cyclopentylacetamide is Cc1ccc(NC(=S)NC(=O)CC2CCCC2)c(Br)c1.
What is the InChIKey of N-[(2-bromo-4-methylphenyl)carbamothioyl]-2-cyclopentylacetamide?
The InChIKey is ITGRVUHXTLKZAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2OS/c1-10-6-7-13(12(16)8-10)17-15(20)18-14(19)9-11-4-2-3-5-11/h6-8,11H,2-5,9H2,1H3,(H2,17,18,19,20).
What are the key properties of N-[(2-bromo-4-methylphenyl)carbamothioyl]-2-cyclopentylacetamide?
N-[(2-bromo-4-methylphenyl)carbamothioyl]-2-cyclopentylacetamide has a molecular weight of 355.30 g/mol, XLogP of 4.15, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromo-4-methylphenyl)carbamothioyl]-2-cyclopentylacetamide is sourced from PubChem (CID 54786588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).