N-[(3-hydroxycyclopentyl)methyl]-2-(2-phenylethylsulfanyl)acetamide

C16H23NO2S — CID 103280293

IUPACN-[(3-hydroxycyclopentyl)methyl]-2-(2-phenylethylsulfanyl)acetamide
SMILESO=C(CSCCc1ccccc1)NCC1CCC(O)C1
InChIInChI=1S/C16H23NO2S/c18-15-7-6-14(10-15)11-17-16(19)12-20-9-8-13-4-2-1-3-5-13/h1-5,14-15,18H,6-12H2,(H,17,19)
InChIKeyLZMZZRFSYRMONZ-UHFFFAOYSA-N
MW293.43 g/mol
LogP2.24
Rot. Bonds7

About N-[(3-hydroxycyclopentyl)methyl]-2-(2-phenylethylsulfanyl)acetamide

N-[(3-hydroxycyclopentyl)methyl]-2-(2-phenylethylsulfanyl)acetamide (PubChem CID 103280293) has the molecular formula C16H23NO2S and a molecular weight of 293.43 g/mol. Its IUPAC name is N-[(3-hydroxycyclopentyl)methyl]-2-(2-phenylethylsulfanyl)acetamide.

Molecular Properties

Compound NameN-[(3-hydroxycyclopentyl)methyl]-2-(2-phenylethylsulfanyl)acetamide
PubChem CID103280293
Molecular FormulaC16H23NO2S
Molecular Weight293.43 g/mol
Exact Mass293.14
IUPAC NameN-[(3-hydroxycyclopentyl)methyl]-2-(2-phenylethylsulfanyl)acetamide
SMILESO=C(CSCCc1ccccc1)NCC1CCC(O)C1
InChIInChI=1S/C16H23NO2S/c18-15-7-6-14(10-15)11-17-16(19)12-20-9-8-13-4-2-1-3-5-13/h1-5,14-15,18H,6-12H2,(H,17,19)
InChIKeyLZMZZRFSYRMONZ-UHFFFAOYSA-N
XLogP2.24
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.43
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(3-hydroxycyclopentyl)methyl]-3-phenylpropanamide
CID 103279802
N-[(3-hydroxycyclohexyl)methyl]-2-phenylacetamide
CID 113241295
N-(2-phenylethyl)-2-(2-phenylethylsulfanyl)acetamide
CID 118398418
benzyl N-[[(1R,3S)-3-hydroxycyclopentyl]methyl]carbamate
CID 124634239
N-(cyclopropylmethyl)-3-phenylpropanamide
CID 51076426
2-(4-fluorophenyl)sulfanyl-N-[(3-hydroxycyclopentyl)methyl]acetamide
CID 103279828
N-[(3-hydroxycyclohexyl)methyl]-3-methyl-5-phenylpentanamide
CID 111459912
1-(3,4-dihydroxypyrrolidin-1-yl)-2-(2-phenylethylsulfanyl)ethanone
CID 106671247
N-[2-[(3-hydroxycyclopentyl)methylamino]-2-oxoethyl]furan-2-carboxamide
CID 103280341
N-[(4-hydroxycyclohexyl)methyl]-3-phenylsulfanylpropanamide
CID 106121354
N-(3,3-difluoro-2-hydroxypropyl)-2-(2-phenylethylsulfanyl)acetamide
CID 103769898
2-cyclopropyl-N-[(3-hydroxycyclopentyl)methyl]acetamide
CID 103280419

Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxycyclopentyl)methyl]-2-(2-phenylethylsulfanyl)acetamide?
The IUPAC name of N-[(3-hydroxycyclopentyl)methyl]-2-(2-phenylethylsulfanyl)acetamide (CID 103280293) is N-[(3-hydroxycyclopentyl)methyl]-2-(2-phenylethylsulfanyl)acetamide.
What is the SMILES notation for N-[(3-hydroxycyclopentyl)methyl]-2-(2-phenylethylsulfanyl)acetamide?
The canonical SMILES for N-[(3-hydroxycyclopentyl)methyl]-2-(2-phenylethylsulfanyl)acetamide is O=C(CSCCc1ccccc1)NCC1CCC(O)C1.
What is the InChIKey of N-[(3-hydroxycyclopentyl)methyl]-2-(2-phenylethylsulfanyl)acetamide?
The InChIKey is LZMZZRFSYRMONZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2S/c18-15-7-6-14(10-15)11-17-16(19)12-20-9-8-13-4-2-1-3-5-13/h1-5,14-15,18H,6-12H2,(H,17,19).
What are the key properties of N-[(3-hydroxycyclopentyl)methyl]-2-(2-phenylethylsulfanyl)acetamide?
N-[(3-hydroxycyclopentyl)methyl]-2-(2-phenylethylsulfanyl)acetamide has a molecular weight of 293.43 g/mol, XLogP of 2.24, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxycyclopentyl)methyl]-2-(2-phenylethylsulfanyl)acetamide is sourced from PubChem (CID 103280293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).