3-cyclopentyl-N-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]propanamide

C17H25NO2S — CID 90581766

IUPAC3-cyclopentyl-N-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]propanamide
SMILESCSc1ccc(C(O)CNC(=O)CCC2CCCC2)cc1
InChIInChI=1S/C17H25NO2S/c1-21-15-9-7-14(8-10-15)16(19)12-18-17(20)11-6-13-4-2-3-5-13/h7-10,13,16,19H,2-6,11-12H2,1H3,(H,18,20)
InChIKeyYNWCBUZANUVBJI-UHFFFAOYSA-N
MW307.46 g/mol
LogP3.53
Rot. Bonds7

About 3-cyclopentyl-N-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]propanamide

3-cyclopentyl-N-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]propanamide (PubChem CID 90581766) has the molecular formula C17H25NO2S and a molecular weight of 307.46 g/mol. Its IUPAC name is 3-cyclopentyl-N-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]propanamide.

Molecular Properties

Compound Name3-cyclopentyl-N-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]propanamide
PubChem CID90581766
Molecular FormulaC17H25NO2S
Molecular Weight307.46 g/mol
Exact Mass307.16
IUPAC Name3-cyclopentyl-N-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]propanamide
SMILESCSc1ccc(C(O)CNC(=O)CCC2CCCC2)cc1
InChIInChI=1S/C17H25NO2S/c1-21-15-9-7-14(8-10-15)16(19)12-18-17(20)11-6-13-4-2-3-5-13/h7-10,13,16,19H,2-6,11-12H2,1H3,(H,18,20)
InChIKeyYNWCBUZANUVBJI-UHFFFAOYSA-N
XLogP3.53
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.46
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-cyclopentyl-N-[2-(4-fluorophenyl)-2-hydroxyethyl]propanamide
CID 110888869
3-cyclohexyl-N-(2-hydroxy-2-phenylethyl)propanamide
CID 43391299
3-cyclopentyl-N-[2-(furan-2-yl)-2-hydroxyethyl]propanamide
CID 110889267
3-cyclopentyl-N-(2-methylpropyl)propanamide
CID 918369
3-cyclohexyl-N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]propanamide
CID 47082069
2-cycloheptyl-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]acetamide
CID 111829496
N-[(2S)-2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]-2-(3-methylphenyl)acetamide
CID 97416790
2-(2-chlorophenyl)-N-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]acetamide
CID 90581804
3-(3-cyclopentylpropanoylamino)-2-hydroxypropanoic acid
CID 66164999
N-(2-chloro-2-phenylethyl)-3-cyclohexylpropanamide
CID 114296062
N-(2-bromo-2-phenylethyl)-3-cyclohexylpropanamide
CID 114308467
3-cyclopentylsulfonyl-N-[2-(4-fluorophenyl)-2-hydroxyethyl]propanamide
CID 87016892

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-N-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]propanamide?
The IUPAC name of 3-cyclopentyl-N-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]propanamide (CID 90581766) is 3-cyclopentyl-N-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]propanamide.
What is the SMILES notation for 3-cyclopentyl-N-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]propanamide?
The canonical SMILES for 3-cyclopentyl-N-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]propanamide is CSc1ccc(C(O)CNC(=O)CCC2CCCC2)cc1.
What is the InChIKey of 3-cyclopentyl-N-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]propanamide?
The InChIKey is YNWCBUZANUVBJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2S/c1-21-15-9-7-14(8-10-15)16(19)12-18-17(20)11-6-13-4-2-3-5-13/h7-10,13,16,19H,2-6,11-12H2,1H3,(H,18,20).
What are the key properties of 3-cyclopentyl-N-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]propanamide?
3-cyclopentyl-N-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]propanamide has a molecular weight of 307.46 g/mol, XLogP of 3.53, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-N-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]propanamide is sourced from PubChem (CID 90581766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).