2-cyclopentyl-N-[(2,6-dimethylphenyl)carbamothioyl]acetamide

C16H22N2OS — CID 54786283

IUPAC2-cyclopentyl-N-[(2,6-dimethylphenyl)carbamothioyl]acetamide
SMILESCc1cccc(C)c1NC(=S)NC(=O)CC1CCCC1
InChIInChI=1S/C16H22N2OS/c1-11-6-5-7-12(2)15(11)18-16(20)17-14(19)10-13-8-3-4-9-13/h5-7,13H,3-4,8-10H2,1-2H3,(H2,17,18,19,20)
InChIKeyGHZPEYNUSKKXQP-UHFFFAOYSA-N
MW290.43 g/mol
LogP3.70
Rot. Bonds3

About 2-cyclopentyl-N-[(2,6-dimethylphenyl)carbamothioyl]acetamide

2-cyclopentyl-N-[(2,6-dimethylphenyl)carbamothioyl]acetamide (PubChem CID 54786283) has the molecular formula C16H22N2OS and a molecular weight of 290.43 g/mol. Its IUPAC name is 2-cyclopentyl-N-[(2,6-dimethylphenyl)carbamothioyl]acetamide.

Molecular Properties

Compound Name2-cyclopentyl-N-[(2,6-dimethylphenyl)carbamothioyl]acetamide
PubChem CID54786283
Molecular FormulaC16H22N2OS
Molecular Weight290.43 g/mol
Exact Mass290.15
IUPAC Name2-cyclopentyl-N-[(2,6-dimethylphenyl)carbamothioyl]acetamide
SMILESCc1cccc(C)c1NC(=S)NC(=O)CC1CCCC1
InChIInChI=1S/C16H22N2OS/c1-11-6-5-7-12(2)15(11)18-16(20)17-14(19)10-13-8-3-4-9-13/h5-7,13H,3-4,8-10H2,1-2H3,(H2,17,18,19,20)
InChIKeyGHZPEYNUSKKXQP-UHFFFAOYSA-N
XLogP3.70
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 53.70
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-(naphthalen-1-ylcarbamothioyl)acetamide
CID 54786425
N-[(2-bromo-4-methylphenyl)carbamothioyl]-2-cyclopentylacetamide
CID 54786588
N-[4-[(2-cyclopentylacetyl)carbamothioylamino]phenyl]-3-phenylpropanamide
CID 54786575
2-cyclopentyl-N-[(2,4-dichlorophenyl)carbamothioyl]acetamide
CID 54786307
2-cyclopentyl-N-[(3-prop-2-enoxyphenyl)carbamothioyl]acetamide
CID 54786717
2-[(2-cyclopropylacetyl)amino]-3-methylbenzoic acid
CID 43358339
cycloheptyl-bis[2-(2,6-dimethylanilino)-2-oxoethyl]azanium
CID 2394747
N-[(2,6-dimethylphenyl)carbamothioyl]-2-methylpropanamide
CID 4928043
4-[(2-cyclopentylacetyl)carbamothioylamino]-N-(2-methoxyethyl)benzamide
CID 54786631
[(2R)-1-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-1-oxopropan-2-yl] 2-cyclopentylacetate
CID 51914010
N-[[2-(azepane-1-carbonyl)phenyl]carbamothioyl]-2-cyclopentylacetamide
CID 54786796

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-N-[(2,6-dimethylphenyl)carbamothioyl]acetamide?
The IUPAC name of 2-cyclopentyl-N-[(2,6-dimethylphenyl)carbamothioyl]acetamide (CID 54786283) is 2-cyclopentyl-N-[(2,6-dimethylphenyl)carbamothioyl]acetamide.
What is the SMILES notation for 2-cyclopentyl-N-[(2,6-dimethylphenyl)carbamothioyl]acetamide?
The canonical SMILES for 2-cyclopentyl-N-[(2,6-dimethylphenyl)carbamothioyl]acetamide is Cc1cccc(C)c1NC(=S)NC(=O)CC1CCCC1.
What is the InChIKey of 2-cyclopentyl-N-[(2,6-dimethylphenyl)carbamothioyl]acetamide?
The InChIKey is GHZPEYNUSKKXQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2OS/c1-11-6-5-7-12(2)15(11)18-16(20)17-14(19)10-13-8-3-4-9-13/h5-7,13H,3-4,8-10H2,1-2H3,(H2,17,18,19,20).
What are the key properties of 2-cyclopentyl-N-[(2,6-dimethylphenyl)carbamothioyl]acetamide?
2-cyclopentyl-N-[(2,6-dimethylphenyl)carbamothioyl]acetamide has a molecular weight of 290.43 g/mol, XLogP of 3.70, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-N-[(2,6-dimethylphenyl)carbamothioyl]acetamide is sourced from PubChem (CID 54786283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).