2-(2-carbamothioylphenoxy)-N-(cyclopentylmethyl)acetamide

C15H20N2O2S — CID 43371246

IUPAC2-(2-carbamothioylphenoxy)-N-(cyclopentylmethyl)acetamide
SMILESNC(=S)c1ccccc1OCC(=O)NCC1CCCC1
InChIInChI=1S/C15H20N2O2S/c16-15(20)12-7-3-4-8-13(12)19-10-14(18)17-9-11-5-1-2-6-11/h3-4,7-8,11H,1-2,5-6,9-10H2,(H2,16,20)(H,17,18)
InChIKeyUFXSOQVTJGLNPB-UHFFFAOYSA-N
MW292.40 g/mol
LogP2.01
Rot. Bonds6

About 2-(2-carbamothioylphenoxy)-N-(cyclopentylmethyl)acetamide

2-(2-carbamothioylphenoxy)-N-(cyclopentylmethyl)acetamide (PubChem CID 43371246) has the molecular formula C15H20N2O2S and a molecular weight of 292.40 g/mol. Its IUPAC name is 2-(2-carbamothioylphenoxy)-N-(cyclopentylmethyl)acetamide.

Molecular Properties

Compound Name2-(2-carbamothioylphenoxy)-N-(cyclopentylmethyl)acetamide
PubChem CID43371246
Molecular FormulaC15H20N2O2S
Molecular Weight292.40 g/mol
Exact Mass292.12
IUPAC Name2-(2-carbamothioylphenoxy)-N-(cyclopentylmethyl)acetamide
SMILESNC(=S)c1ccccc1OCC(=O)NCC1CCCC1
InChIInChI=1S/C15H20N2O2S/c16-15(20)12-7-3-4-8-13(12)19-10-14(18)17-9-11-5-1-2-6-11/h3-4,7-8,11H,1-2,5-6,9-10H2,(H2,16,20)(H,17,18)
InChIKeyUFXSOQVTJGLNPB-UHFFFAOYSA-N
XLogP2.01
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 52.01
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

2-(2-aminophenoxy)-N-(cyclohexylmethyl)acetamide
CID 43371365
N-(cyclohexylmethyl)-2-(2-methoxyphenoxy)acetamide
CID 2083257
5-chloro-2-[2-(cyclohexylmethylamino)-2-oxoethoxy]benzamide
CID 9463555
N-(cyclohexylmethyl)-2-naphthalen-1-yloxyacetamide
CID 2504525
2-(2-carbamothioylphenoxy)-N-(2-ethoxyethyl)acetamide
CID 43591453
2-(2-carbamothioylphenoxy)-N-(3-methylbutyl)acetamide
CID 24698242
2-(2-carbamothioylphenoxy)-N-piperidin-1-ylacetamide
CID 83015559
2-[2-[[2-(2-carbamothioylphenoxy)acetyl]amino]ethoxy]acetamide
CID 106237128
2-(2-carbamothioylphenoxy)-N-(2-oxopiperidin-3-yl)acetamide
CID 62094351
2-[(E)-[amino-(2-phenylmethoxyphenyl)methylidene]amino]oxy-N-(cyclohexylmethyl)acetamide
CID 56503994
N-(cyclopropylmethyl)-2-(2-iodophenoxy)acetamide
CID 38880107
2-(2-carbamothioylphenoxy)-N-[2-[ethyl(methyl)amino]ethyl]acetamide
CID 62640625

Frequently Asked Questions

What is the IUPAC name of 2-(2-carbamothioylphenoxy)-N-(cyclopentylmethyl)acetamide?
The IUPAC name of 2-(2-carbamothioylphenoxy)-N-(cyclopentylmethyl)acetamide (CID 43371246) is 2-(2-carbamothioylphenoxy)-N-(cyclopentylmethyl)acetamide.
What is the SMILES notation for 2-(2-carbamothioylphenoxy)-N-(cyclopentylmethyl)acetamide?
The canonical SMILES for 2-(2-carbamothioylphenoxy)-N-(cyclopentylmethyl)acetamide is NC(=S)c1ccccc1OCC(=O)NCC1CCCC1.
What is the InChIKey of 2-(2-carbamothioylphenoxy)-N-(cyclopentylmethyl)acetamide?
The InChIKey is UFXSOQVTJGLNPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2S/c16-15(20)12-7-3-4-8-13(12)19-10-14(18)17-9-11-5-1-2-6-11/h3-4,7-8,11H,1-2,5-6,9-10H2,(H2,16,20)(H,17,18).
What are the key properties of 2-(2-carbamothioylphenoxy)-N-(cyclopentylmethyl)acetamide?
2-(2-carbamothioylphenoxy)-N-(cyclopentylmethyl)acetamide has a molecular weight of 292.40 g/mol, XLogP of 2.01, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-carbamothioylphenoxy)-N-(cyclopentylmethyl)acetamide is sourced from PubChem (CID 43371246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).