2-hydroxy-N-[2-(4-methylphenyl)sulfanylethyl]cyclopentane-1-carboxamide

C15H21NO2S — CID 110015113

IUPAC2-hydroxy-N-[2-(4-methylphenyl)sulfanylethyl]cyclopentane-1-carboxamide
SMILESCc1ccc(SCCNC(=O)C2CCCC2O)cc1
InChIInChI=1S/C15H21NO2S/c1-11-5-7-12(8-6-11)19-10-9-16-15(18)13-3-2-4-14(13)17/h5-8,13-14,17H,2-4,9-10H2,1H3,(H,16,18)
InChIKeyFACZXLQDMIJXHP-UHFFFAOYSA-N
MW279.40 g/mol
LogP2.36
Rot. Bonds5

About 2-hydroxy-N-[2-(4-methylphenyl)sulfanylethyl]cyclopentane-1-carboxamide

2-hydroxy-N-[2-(4-methylphenyl)sulfanylethyl]cyclopentane-1-carboxamide (PubChem CID 110015113) has the molecular formula C15H21NO2S and a molecular weight of 279.40 g/mol. Its IUPAC name is 2-hydroxy-N-[2-(4-methylphenyl)sulfanylethyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name2-hydroxy-N-[2-(4-methylphenyl)sulfanylethyl]cyclopentane-1-carboxamide
PubChem CID110015113
Molecular FormulaC15H21NO2S
Molecular Weight279.40 g/mol
Exact Mass279.13
IUPAC Name2-hydroxy-N-[2-(4-methylphenyl)sulfanylethyl]cyclopentane-1-carboxamide
SMILESCc1ccc(SCCNC(=O)C2CCCC2O)cc1
InChIInChI=1S/C15H21NO2S/c1-11-5-7-12(8-6-11)19-10-9-16-15(18)13-3-2-4-14(13)17/h5-8,13-14,17H,2-4,9-10H2,1H3,(H,16,18)
InChIKeyFACZXLQDMIJXHP-UHFFFAOYSA-N
XLogP2.36
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.40
LogP ≤ 52.36
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-[2-(4-methylphenyl)sulfanylethyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 51261915
1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-[2-(4-methylphenyl)sulfanylethyl]urea
CID 109397494
2-(2-phenylsulfanylethylcarbamoyl)cyclopentane-1-carboxylic acid
CID 103978477
2-(cyclopropylmethylamino)-N-[2-(4-methylphenyl)sulfanylethyl]acetamide
CID 119691502
(3R)-1-ethylsulfonyl-N-[2-(4-methylphenyl)sulfanylethyl]piperidine-3-carboxamide
CID 95119092
1-methyl-N-[2-(4-methylphenyl)sulfanylethyl]cyclopentane-1-carboxamide
CID 55436081
(2S)-1-(benzenesulfonyl)-N-[2-(4-methylphenyl)sulfanylethyl]pyrrolidine-2-carboxamide
CID 2226544
2-(2-phenylsulfanylethylcarbamoyl)cyclobutane-1-carboxylic acid
CID 120974542
trans-(1R,2R)-N-[2-(3,4-dimethylphenyl)sulfanylethyl]-2-methylcyclopropane-1-carboxamide
CID 51968728
4-(cyclopropanecarbonylamino)-N-[2-(4-methylphenyl)sulfanylethyl]benzamide
CID 46475446
2,2,2-trifluoro-N-[2-(4-methylphenyl)sulfanylethyl]acetamide
CID 71411756
1-(2-methoxyacetyl)-N-[2-(4-methylphenyl)sulfanylethyl]piperidine-3-carboxamide
CID 72904031

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-[2-(4-methylphenyl)sulfanylethyl]cyclopentane-1-carboxamide?
The IUPAC name of 2-hydroxy-N-[2-(4-methylphenyl)sulfanylethyl]cyclopentane-1-carboxamide (CID 110015113) is 2-hydroxy-N-[2-(4-methylphenyl)sulfanylethyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 2-hydroxy-N-[2-(4-methylphenyl)sulfanylethyl]cyclopentane-1-carboxamide?
The canonical SMILES for 2-hydroxy-N-[2-(4-methylphenyl)sulfanylethyl]cyclopentane-1-carboxamide is Cc1ccc(SCCNC(=O)C2CCCC2O)cc1.
What is the InChIKey of 2-hydroxy-N-[2-(4-methylphenyl)sulfanylethyl]cyclopentane-1-carboxamide?
The InChIKey is FACZXLQDMIJXHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2S/c1-11-5-7-12(8-6-11)19-10-9-16-15(18)13-3-2-4-14(13)17/h5-8,13-14,17H,2-4,9-10H2,1H3,(H,16,18).
What are the key properties of 2-hydroxy-N-[2-(4-methylphenyl)sulfanylethyl]cyclopentane-1-carboxamide?
2-hydroxy-N-[2-(4-methylphenyl)sulfanylethyl]cyclopentane-1-carboxamide has a molecular weight of 279.40 g/mol, XLogP of 2.36, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-[2-(4-methylphenyl)sulfanylethyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 110015113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).