N-cyclopentyloxy-2-(4-methoxyphenyl)sulfanylacetamide

C14H19NO3S — CID 83201947

IUPACN-cyclopentyloxy-2-(4-methoxyphenyl)sulfanylacetamide
SMILESCOc1ccc(SCC(=O)NOC2CCCC2)cc1
InChIInChI=1S/C14H19NO3S/c1-17-11-6-8-13(9-7-11)19-10-14(16)15-18-12-4-2-3-5-12/h6-9,12H,2-5,10H2,1H3,(H,15,16)
InChIKeyFTDMATSNPCSFON-UHFFFAOYSA-N
MW281.38 g/mol
LogP2.78
Rot. Bonds6

About N-cyclopentyloxy-2-(4-methoxyphenyl)sulfanylacetamide

N-cyclopentyloxy-2-(4-methoxyphenyl)sulfanylacetamide (PubChem CID 83201947) has the molecular formula C14H19NO3S and a molecular weight of 281.38 g/mol. Its IUPAC name is N-cyclopentyloxy-2-(4-methoxyphenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-cyclopentyloxy-2-(4-methoxyphenyl)sulfanylacetamide
PubChem CID83201947
Molecular FormulaC14H19NO3S
Molecular Weight281.38 g/mol
Exact Mass281.11
IUPAC NameN-cyclopentyloxy-2-(4-methoxyphenyl)sulfanylacetamide
SMILESCOc1ccc(SCC(=O)NOC2CCCC2)cc1
InChIInChI=1S/C14H19NO3S/c1-17-11-6-8-13(9-7-11)19-10-14(16)15-18-12-4-2-3-5-12/h6-9,12H,2-5,10H2,1H3,(H,15,16)
InChIKeyFTDMATSNPCSFON-UHFFFAOYSA-N
XLogP2.78
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-cyclopentyloxy-2-(4-methoxyphenyl)sulfanylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-cyclopentyloxy-2-(4-ethoxyphenyl)sulfanylacetamide
CID 83202111
2-(4-bromophenyl)sulfanyl-N-cyclopentyloxyacetamide
CID 83202861
N-cycloheptyl-2-(4-methoxyphenyl)sulfanylacetamide
CID 7992638
2-(4-methoxyphenyl)sulfanyl-N-[(2-methylpropan-2-yl)oxy]acetamide
CID 82724032
1-cyclopentyl-2-(4-methoxyphenyl)sulfanylethanone
CID 58762545
N-[2-(aminomethyl)cyclohexyl]-2-(4-methoxyphenyl)sulfanylacetamide;hydrochloride
CID 119612327
N-(4-hydroxycyclohexyl)-2-(4-methoxyphenyl)sulfanylacetamide
CID 17472289
1-cyclopentyloxy-3-(4-methoxyphenyl)urea
CID 112551748
N-(2-cyclopropyl-2-hydroxyethyl)-2-(4-methoxyphenyl)sulfanylacetamide
CID 55171211
2-(4-methoxyphenyl)sulfanyl-N-(pyrrolidin-2-ylmethyl)acetamide
CID 119514483
[2-[[(1R,2S)-2-methylcyclohexyl]amino]-2-oxoethyl] 2-(4-methoxyphenyl)sulfanylacetate
CID 8549546
2-(4-methoxyphenyl)sulfanyl-N-piperidin-3-ylacetamide;hydrochloride
CID 119428950

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyloxy-2-(4-methoxyphenyl)sulfanylacetamide?
The IUPAC name of N-cyclopentyloxy-2-(4-methoxyphenyl)sulfanylacetamide (CID 83201947) is N-cyclopentyloxy-2-(4-methoxyphenyl)sulfanylacetamide.
What is the SMILES notation for N-cyclopentyloxy-2-(4-methoxyphenyl)sulfanylacetamide?
The canonical SMILES for N-cyclopentyloxy-2-(4-methoxyphenyl)sulfanylacetamide is COc1ccc(SCC(=O)NOC2CCCC2)cc1.
What is the InChIKey of N-cyclopentyloxy-2-(4-methoxyphenyl)sulfanylacetamide?
The InChIKey is FTDMATSNPCSFON-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3S/c1-17-11-6-8-13(9-7-11)19-10-14(16)15-18-12-4-2-3-5-12/h6-9,12H,2-5,10H2,1H3,(H,15,16).
What are the key properties of N-cyclopentyloxy-2-(4-methoxyphenyl)sulfanylacetamide?
N-cyclopentyloxy-2-(4-methoxyphenyl)sulfanylacetamide has a molecular weight of 281.38 g/mol, XLogP of 2.78, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyloxy-2-(4-methoxyphenyl)sulfanylacetamide is sourced from PubChem (CID 83201947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).