2-(4-bromophenyl)-N-(2-carbamothioylcyclopentyl)acetamide

C14H17BrN2OS — CID 62955197

IUPAC2-(4-bromophenyl)-N-(2-carbamothioylcyclopentyl)acetamide
SMILESNC(=S)C1CCCC1NC(=O)Cc1ccc(Br)cc1
InChIInChI=1S/C14H17BrN2OS/c15-10-6-4-9(5-7-10)8-13(18)17-12-3-1-2-11(12)14(16)19/h4-7,11-12H,1-3,8H2,(H2,16,19)(H,17,18)
InChIKeyGDJNCGDCQDSXLJ-UHFFFAOYSA-N
MW341.27 g/mol
LogP2.56
Rot. Bonds4

About 2-(4-bromophenyl)-N-(2-carbamothioylcyclopentyl)acetamide

2-(4-bromophenyl)-N-(2-carbamothioylcyclopentyl)acetamide (PubChem CID 62955197) has the molecular formula C14H17BrN2OS and a molecular weight of 341.27 g/mol. Its IUPAC name is 2-(4-bromophenyl)-N-(2-carbamothioylcyclopentyl)acetamide.

Molecular Properties

Compound Name2-(4-bromophenyl)-N-(2-carbamothioylcyclopentyl)acetamide
PubChem CID62955197
Molecular FormulaC14H17BrN2OS
Molecular Weight341.27 g/mol
Exact Mass340.02
IUPAC Name2-(4-bromophenyl)-N-(2-carbamothioylcyclopentyl)acetamide
SMILESNC(=S)C1CCCC1NC(=O)Cc1ccc(Br)cc1
InChIInChI=1S/C14H17BrN2OS/c15-10-6-4-9(5-7-10)8-13(18)17-12-3-1-2-11(12)14(16)19/h4-7,11-12H,1-3,8H2,(H2,16,19)(H,17,18)
InChIKeyGDJNCGDCQDSXLJ-UHFFFAOYSA-N
XLogP2.56
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.27
LogP ≤ 52.56
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-carbamothioylcyclopentyl)-2-(2-methylphenyl)acetamide
CID 62957100
N-[(1R,2R)-2-aminocyclohexyl]-2-(4-bromophenyl)acetamide
CID 93452631
N-(2-carbamothioylcyclopentyl)-3-(4-methylphenyl)propanamide
CID 62955876
2-(4-bromophenyl)-N-[(1S,2R)-2-hydroxycyclohexyl]acetamide
CID 94414749
2,4-dibromo-N-(2-carbamothioylcyclopentyl)benzamide
CID 107938989
5-bromo-N-(2-carbamothioylcyclopentyl)-2-hydroxybenzamide
CID 107729610
N-(2-carbamothioylcyclopentyl)-3-(4-methoxyphenyl)propanamide
CID 62956927
N-(2-carbamothioylcyclopentyl)-5-methylfuran-2-carboxamide
CID 62956749
N-(2-carbamothioylcyclopentyl)-3-methoxypropanamide
CID 62955874
N-(2-carbamothioylcyclopentyl)-2-ethoxyacetamide
CID 62956567
N-(2-carbamothioylcyclopentyl)-3-cyclohexylpropanamide
CID 62955195
2-(4-carbamothioylphenyl)-N-(2-ethylcyclohexyl)acetamide
CID 63591247

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-N-(2-carbamothioylcyclopentyl)acetamide?
The IUPAC name of 2-(4-bromophenyl)-N-(2-carbamothioylcyclopentyl)acetamide (CID 62955197) is 2-(4-bromophenyl)-N-(2-carbamothioylcyclopentyl)acetamide.
What is the SMILES notation for 2-(4-bromophenyl)-N-(2-carbamothioylcyclopentyl)acetamide?
The canonical SMILES for 2-(4-bromophenyl)-N-(2-carbamothioylcyclopentyl)acetamide is NC(=S)C1CCCC1NC(=O)Cc1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromophenyl)-N-(2-carbamothioylcyclopentyl)acetamide?
The InChIKey is GDJNCGDCQDSXLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2OS/c15-10-6-4-9(5-7-10)8-13(18)17-12-3-1-2-11(12)14(16)19/h4-7,11-12H,1-3,8H2,(H2,16,19)(H,17,18).
What are the key properties of 2-(4-bromophenyl)-N-(2-carbamothioylcyclopentyl)acetamide?
2-(4-bromophenyl)-N-(2-carbamothioylcyclopentyl)acetamide has a molecular weight of 341.27 g/mol, XLogP of 2.56, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-N-(2-carbamothioylcyclopentyl)acetamide is sourced from PubChem (CID 62955197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).