N-(2-carbamothioylcyclopentyl)-2-(2-methylphenyl)acetamide

C15H20N2OS — CID 62957100

IUPACN-(2-carbamothioylcyclopentyl)-2-(2-methylphenyl)acetamide
SMILESCc1ccccc1CC(=O)NC1CCCC1C(N)=S
InChIInChI=1S/C15H20N2OS/c1-10-5-2-3-6-11(10)9-14(18)17-13-8-4-7-12(13)15(16)19/h2-3,5-6,12-13H,4,7-9H2,1H3,(H2,16,19)(H,17,18)
InChIKeyVUGHARWCUIRTIN-UHFFFAOYSA-N
MW276.40 g/mol
LogP2.11
Rot. Bonds4

About N-(2-carbamothioylcyclopentyl)-2-(2-methylphenyl)acetamide

N-(2-carbamothioylcyclopentyl)-2-(2-methylphenyl)acetamide (PubChem CID 62957100) has the molecular formula C15H20N2OS and a molecular weight of 276.40 g/mol. Its IUPAC name is N-(2-carbamothioylcyclopentyl)-2-(2-methylphenyl)acetamide.

Molecular Properties

Compound NameN-(2-carbamothioylcyclopentyl)-2-(2-methylphenyl)acetamide
PubChem CID62957100
Molecular FormulaC15H20N2OS
Molecular Weight276.40 g/mol
Exact Mass276.13
IUPAC NameN-(2-carbamothioylcyclopentyl)-2-(2-methylphenyl)acetamide
SMILESCc1ccccc1CC(=O)NC1CCCC1C(N)=S
InChIInChI=1S/C15H20N2OS/c1-10-5-2-3-6-11(10)9-14(18)17-13-8-4-7-12(13)15(16)19/h2-3,5-6,12-13H,4,7-9H2,1H3,(H2,16,19)(H,17,18)
InChIKeyVUGHARWCUIRTIN-UHFFFAOYSA-N
XLogP2.11
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 52.11
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-(4-bromophenyl)-N-(2-carbamothioylcyclopentyl)acetamide
CID 62955197
N-[(1R,2R)-2-aminocyclohexyl]-2-(2-methylphenyl)acetamide
CID 93452351
N-(2-carbamothioylcyclopentyl)-3-(4-methylphenyl)propanamide
CID 62955876
N-(2-aminocyclopropyl)-2-(2-methylphenyl)acetamide
CID 43593844
2-[3-(2-methylphenyl)propanoylamino]cyclohexane-1-carboxylic acid
CID 64812084
2-[[2-[2-(aminomethyl)phenyl]acetyl]amino]cyclopentane-1-carboxylic acid
CID 81322034
cis-(1S,2R)-2-[[2-(3-bromo-2-methylphenyl)acetyl]amino]cyclopentane-1-carboxamide
CID 100704809
trans-(1R,2R)-2-[[2-(2,5-dimethylphenyl)acetyl]amino]cyclopentane-1-carboxylic acid
CID 95363924
N-(2-carbamothioylcyclopentyl)-2,5-dimethylbenzamide
CID 62955535
N-(2-carbamothioylcyclopentyl)-3-hydroxy-2-methylbenzamide
CID 82829545
N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]-2-(2-methoxyphenyl)acetamide
CID 76978544
N-(2-carbamothioylcyclopentyl)-2-ethylbutanamide
CID 62956227

Frequently Asked Questions

What is the IUPAC name of N-(2-carbamothioylcyclopentyl)-2-(2-methylphenyl)acetamide?
The IUPAC name of N-(2-carbamothioylcyclopentyl)-2-(2-methylphenyl)acetamide (CID 62957100) is N-(2-carbamothioylcyclopentyl)-2-(2-methylphenyl)acetamide.
What is the SMILES notation for N-(2-carbamothioylcyclopentyl)-2-(2-methylphenyl)acetamide?
The canonical SMILES for N-(2-carbamothioylcyclopentyl)-2-(2-methylphenyl)acetamide is Cc1ccccc1CC(=O)NC1CCCC1C(N)=S.
What is the InChIKey of N-(2-carbamothioylcyclopentyl)-2-(2-methylphenyl)acetamide?
The InChIKey is VUGHARWCUIRTIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2OS/c1-10-5-2-3-6-11(10)9-14(18)17-13-8-4-7-12(13)15(16)19/h2-3,5-6,12-13H,4,7-9H2,1H3,(H2,16,19)(H,17,18).
What are the key properties of N-(2-carbamothioylcyclopentyl)-2-(2-methylphenyl)acetamide?
N-(2-carbamothioylcyclopentyl)-2-(2-methylphenyl)acetamide has a molecular weight of 276.40 g/mol, XLogP of 2.11, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-carbamothioylcyclopentyl)-2-(2-methylphenyl)acetamide is sourced from PubChem (CID 62957100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).