N-[2-(2-cyanopropylsulfanyl)phenyl]-2-(1-hydroxycyclopentyl)acetamide

C17H22N2O2S — CID 111538250

IUPACN-[2-(2-cyanopropylsulfanyl)phenyl]-2-(1-hydroxycyclopentyl)acetamide
SMILESCC(C#N)CSc1ccccc1NC(=O)CC1(O)CCCC1
InChIInChI=1S/C17H22N2O2S/c1-13(11-18)12-22-15-7-3-2-6-14(15)19-16(20)10-17(21)8-4-5-9-17/h2-3,6-7,13,21H,4-5,8-10,12H2,1H3,(H,19,20)
InChIKeyQIAFYTBTNIWIDT-UHFFFAOYSA-N
MW318.44 g/mol
LogP3.57
Rot. Bonds6

About N-[2-(2-cyanopropylsulfanyl)phenyl]-2-(1-hydroxycyclopentyl)acetamide

N-[2-(2-cyanopropylsulfanyl)phenyl]-2-(1-hydroxycyclopentyl)acetamide (PubChem CID 111538250) has the molecular formula C17H22N2O2S and a molecular weight of 318.44 g/mol. Its IUPAC name is N-[2-(2-cyanopropylsulfanyl)phenyl]-2-(1-hydroxycyclopentyl)acetamide.

Molecular Properties

Compound NameN-[2-(2-cyanopropylsulfanyl)phenyl]-2-(1-hydroxycyclopentyl)acetamide
PubChem CID111538250
Molecular FormulaC17H22N2O2S
Molecular Weight318.44 g/mol
Exact Mass318.14
IUPAC NameN-[2-(2-cyanopropylsulfanyl)phenyl]-2-(1-hydroxycyclopentyl)acetamide
SMILESCC(C#N)CSc1ccccc1NC(=O)CC1(O)CCCC1
InChIInChI=1S/C17H22N2O2S/c1-13(11-18)12-22-15-7-3-2-6-14(15)19-16(20)10-17(21)8-4-5-9-17/h2-3,6-7,13,21H,4-5,8-10,12H2,1H3,(H,19,20)
InChIKeyQIAFYTBTNIWIDT-UHFFFAOYSA-N
XLogP3.57
TPSA73.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.44
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-hydroxycyclopentyl)-N-(2-methylsulfanylphenyl)acetamide
CID 111536466
N-[2-(2-cyanopropylsulfanyl)phenyl]-2-(3-hydroxy-1-adamantyl)acetamide
CID 167769199
N-[2-(difluoromethylsulfanyl)phenyl]-2-(1-hydroxycyclopentyl)acetamide
CID 111432184
2-(1-hydroxycyclopentyl)-N-[2-(trifluoromethylsulfanyl)phenyl]acetamide
CID 111537718
2-(1-hydroxycyclopentyl)-N-(2-hydroxyphenyl)acetamide
CID 111430337
N-[2-[(2R)-2-cyanopropyl]sulfanylphenyl]-2-[4-(hydroxymethyl)piperidin-1-yl]acetamide
CID 95327640
N-(2-ethylphenyl)-2-(1-hydroxycyclopentyl)acetamide
CID 111430432
N-[2-(2-cyanopropylsulfanyl)phenyl]-3-methylpyrrolidine-1-carboxamide
CID 86900806
2-(1-hydroxycyclopentyl)-N-(2-propylphenyl)acetamide
CID 111536639
2-(1-hydroxycyclohexyl)-N-(2-methoxyphenyl)acetamide
CID 111331493
N-[2-[(2R)-2-cyanopropyl]sulfanylphenyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 95135064
N-(2-ethoxyphenyl)-2-(1-hydroxycyclopentyl)acetamide
CID 111432228

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-cyanopropylsulfanyl)phenyl]-2-(1-hydroxycyclopentyl)acetamide?
The IUPAC name of N-[2-(2-cyanopropylsulfanyl)phenyl]-2-(1-hydroxycyclopentyl)acetamide (CID 111538250) is N-[2-(2-cyanopropylsulfanyl)phenyl]-2-(1-hydroxycyclopentyl)acetamide.
What is the SMILES notation for N-[2-(2-cyanopropylsulfanyl)phenyl]-2-(1-hydroxycyclopentyl)acetamide?
The canonical SMILES for N-[2-(2-cyanopropylsulfanyl)phenyl]-2-(1-hydroxycyclopentyl)acetamide is CC(C#N)CSc1ccccc1NC(=O)CC1(O)CCCC1.
What is the InChIKey of N-[2-(2-cyanopropylsulfanyl)phenyl]-2-(1-hydroxycyclopentyl)acetamide?
The InChIKey is QIAFYTBTNIWIDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2S/c1-13(11-18)12-22-15-7-3-2-6-14(15)19-16(20)10-17(21)8-4-5-9-17/h2-3,6-7,13,21H,4-5,8-10,12H2,1H3,(H,19,20).
What are the key properties of N-[2-(2-cyanopropylsulfanyl)phenyl]-2-(1-hydroxycyclopentyl)acetamide?
N-[2-(2-cyanopropylsulfanyl)phenyl]-2-(1-hydroxycyclopentyl)acetamide has a molecular weight of 318.44 g/mol, XLogP of 3.57, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-cyanopropylsulfanyl)phenyl]-2-(1-hydroxycyclopentyl)acetamide is sourced from PubChem (CID 111538250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).