N-(1-carbamothioylcyclopentyl)-2-phenoxyacetamide

C14H18N2O2S — CID 61118930

IUPACN-(1-carbamothioylcyclopentyl)-2-phenoxyacetamide
SMILESNC(=S)C1(NC(=O)COc2ccccc2)CCCC1
InChIInChI=1S/C14H18N2O2S/c15-13(19)14(8-4-5-9-14)16-12(17)10-18-11-6-2-1-3-7-11/h1-3,6-7H,4-5,8-10H2,(H2,15,19)(H,16,17)
InChIKeyBXLJAZKQRMUOGL-UHFFFAOYSA-N
MW278.38 g/mol
LogP1.78
Rot. Bonds5

About N-(1-carbamothioylcyclopentyl)-2-phenoxyacetamide

N-(1-carbamothioylcyclopentyl)-2-phenoxyacetamide (PubChem CID 61118930) has the molecular formula C14H18N2O2S and a molecular weight of 278.38 g/mol. Its IUPAC name is N-(1-carbamothioylcyclopentyl)-2-phenoxyacetamide.

Molecular Properties

Compound NameN-(1-carbamothioylcyclopentyl)-2-phenoxyacetamide
PubChem CID61118930
Molecular FormulaC14H18N2O2S
Molecular Weight278.38 g/mol
Exact Mass278.11
IUPAC NameN-(1-carbamothioylcyclopentyl)-2-phenoxyacetamide
SMILESNC(=S)C1(NC(=O)COc2ccccc2)CCCC1
InChIInChI=1S/C14H18N2O2S/c15-13(19)14(8-4-5-9-14)16-12(17)10-18-11-6-2-1-3-7-11/h1-3,6-7H,4-5,8-10H2,(H2,15,19)(H,16,17)
InChIKeyBXLJAZKQRMUOGL-UHFFFAOYSA-N
XLogP1.78
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(1-carbamothioylcyclopentyl)-3-phenoxypropanamide
CID 61120116
N-(1-carbamothioylcyclohexyl)-2-(4-chlorophenoxy)acetamide
CID 61118939
N-[1-(aminomethyl)cyclohexyl]-2-phenoxyacetamide
CID 63755837
1-[[2-[(2-phenoxyacetyl)amino]acetyl]amino]cycloheptane-1-carboxylic acid
CID 120538943
2-[1-[(2-phenoxyacetyl)amino]cyclopentyl]acetic acid
CID 64673162
1-[[2-(4-methoxyphenoxy)acetyl]amino]cycloheptane-1-carboxylic acid
CID 120538622
1-[[2-(3-bromophenoxy)acetyl]amino]cyclohexane-1-carboxamide
CID 78903343
1-[[2-(4-bromophenoxy)acetyl]amino]cyclohexane-1-carboxylic acid
CID 43239141
1-[[2-(4-fluorophenoxy)acetyl]amino]cycloheptane-1-carboxylic acid
CID 120538968
1-[[2-(4-propoxyphenoxy)acetyl]amino]cyclohexane-1-carboxamide
CID 78881239
1-[[2-(4-methoxyphenoxy)acetyl]amino]cyclobutane-1-carboxylic acid
CID 81158031
N-(1-carbamothioylcycloheptyl)-2-(2-chlorophenyl)acetamide
CID 61119572

Frequently Asked Questions

What is the IUPAC name of N-(1-carbamothioylcyclopentyl)-2-phenoxyacetamide?
The IUPAC name of N-(1-carbamothioylcyclopentyl)-2-phenoxyacetamide (CID 61118930) is N-(1-carbamothioylcyclopentyl)-2-phenoxyacetamide.
What is the SMILES notation for N-(1-carbamothioylcyclopentyl)-2-phenoxyacetamide?
The canonical SMILES for N-(1-carbamothioylcyclopentyl)-2-phenoxyacetamide is NC(=S)C1(NC(=O)COc2ccccc2)CCCC1.
What is the InChIKey of N-(1-carbamothioylcyclopentyl)-2-phenoxyacetamide?
The InChIKey is BXLJAZKQRMUOGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2S/c15-13(19)14(8-4-5-9-14)16-12(17)10-18-11-6-2-1-3-7-11/h1-3,6-7H,4-5,8-10H2,(H2,15,19)(H,16,17).
What are the key properties of N-(1-carbamothioylcyclopentyl)-2-phenoxyacetamide?
N-(1-carbamothioylcyclopentyl)-2-phenoxyacetamide has a molecular weight of 278.38 g/mol, XLogP of 1.78, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-carbamothioylcyclopentyl)-2-phenoxyacetamide is sourced from PubChem (CID 61118930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).