N-cyclopentyl-2-[3-(1-hydroxyethyl)phenyl]sulfanylpropanamide

C16H23NO2S — CID 64665320

IUPACN-cyclopentyl-2-[3-(1-hydroxyethyl)phenyl]sulfanylpropanamide
SMILESCC(Sc1cccc(C(C)O)c1)C(=O)NC1CCCC1
InChIInChI=1S/C16H23NO2S/c1-11(18)13-6-5-9-15(10-13)20-12(2)16(19)17-14-7-3-4-8-14/h5-6,9-12,14,18H,3-4,7-8H2,1-2H3,(H,17,19)
InChIKeyMCTAPCWQAUZJNI-UHFFFAOYSA-N
MW293.43 g/mol
LogP3.28
Rot. Bonds5

About N-cyclopentyl-2-[3-(1-hydroxyethyl)phenyl]sulfanylpropanamide

N-cyclopentyl-2-[3-(1-hydroxyethyl)phenyl]sulfanylpropanamide (PubChem CID 64665320) has the molecular formula C16H23NO2S and a molecular weight of 293.43 g/mol. Its IUPAC name is N-cyclopentyl-2-[3-(1-hydroxyethyl)phenyl]sulfanylpropanamide.

Molecular Properties

Compound NameN-cyclopentyl-2-[3-(1-hydroxyethyl)phenyl]sulfanylpropanamide
PubChem CID64665320
Molecular FormulaC16H23NO2S
Molecular Weight293.43 g/mol
Exact Mass293.14
IUPAC NameN-cyclopentyl-2-[3-(1-hydroxyethyl)phenyl]sulfanylpropanamide
SMILESCC(Sc1cccc(C(C)O)c1)C(=O)NC1CCCC1
InChIInChI=1S/C16H23NO2S/c1-11(18)13-6-5-9-15(10-13)20-12(2)16(19)17-14-7-3-4-8-14/h5-6,9-12,14,18H,3-4,7-8H2,1-2H3,(H,17,19)
InChIKeyMCTAPCWQAUZJNI-UHFFFAOYSA-N
XLogP3.28
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.43
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(aminomethyl)phenyl]sulfanyl-N-cyclopentylpropanamide
CID 66354315
N-cyclopentyl-2-[3-(ethylaminomethyl)phenyl]sulfanylpropanamide
CID 66349004
(2R)-N-cyclohexyl-2-naphthalen-2-ylsulfanylpropanamide
CID 7402929
N-cyclopropyl-2-[3-(1-hydroxyethyl)phenyl]sulfanylacetamide
CID 64665950
(2R)-N-cyclopropyl-2-(3-methoxyphenyl)sulfanylpropanamide
CID 35041164
N-cyclohexyl-2-(4-hydroxyphenyl)sulfanylpropanamide
CID 47262934
2-(4-amino-3-fluorophenyl)sulfanyl-N-cyclopentylpropanamide
CID 79141100
(2S)-2-(4-acetamidophenyl)sulfanyl-N-cyclopentylpropanamide
CID 2423355
(2R)-N-(cyclopropylcarbamoyl)-2-(3-methylphenyl)sulfanylpropanamide
CID 94214646
(2R)-N-(cyclopentylcarbamoyl)-2-(3,4-dimethylphenyl)sulfanylpropanamide
CID 8736919
(2S)-N-cyclopentyl-2-(2-methoxyphenyl)sulfanylpropanamide
CID 94214627
[(2R)-1-(cycloheptylamino)-1-oxopropan-2-yl] (2S)-2-phenylsulfanylpropanoate
CID 8979821

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-[3-(1-hydroxyethyl)phenyl]sulfanylpropanamide?
The IUPAC name of N-cyclopentyl-2-[3-(1-hydroxyethyl)phenyl]sulfanylpropanamide (CID 64665320) is N-cyclopentyl-2-[3-(1-hydroxyethyl)phenyl]sulfanylpropanamide.
What is the SMILES notation for N-cyclopentyl-2-[3-(1-hydroxyethyl)phenyl]sulfanylpropanamide?
The canonical SMILES for N-cyclopentyl-2-[3-(1-hydroxyethyl)phenyl]sulfanylpropanamide is CC(Sc1cccc(C(C)O)c1)C(=O)NC1CCCC1.
What is the InChIKey of N-cyclopentyl-2-[3-(1-hydroxyethyl)phenyl]sulfanylpropanamide?
The InChIKey is MCTAPCWQAUZJNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2S/c1-11(18)13-6-5-9-15(10-13)20-12(2)16(19)17-14-7-3-4-8-14/h5-6,9-12,14,18H,3-4,7-8H2,1-2H3,(H,17,19).
What are the key properties of N-cyclopentyl-2-[3-(1-hydroxyethyl)phenyl]sulfanylpropanamide?
N-cyclopentyl-2-[3-(1-hydroxyethyl)phenyl]sulfanylpropanamide has a molecular weight of 293.43 g/mol, XLogP of 3.28, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-[3-(1-hydroxyethyl)phenyl]sulfanylpropanamide is sourced from PubChem (CID 64665320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).