N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-5-phenylpent-4-enamide

C16H23NO2S — CID 111436003

IUPACN-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-5-phenylpent-4-enamide
SMILESCSCC(C)(O)CNC(=O)CCC=Cc1ccccc1
InChIInChI=1S/C16H23NO2S/c1-16(19,13-20-2)12-17-15(18)11-7-6-10-14-8-4-3-5-9-14/h3-6,8-10,19H,7,11-13H2,1-2H3,(H,17,18)
InChIKeyNQKZPZQQEFLCMQ-UHFFFAOYSA-N
MW293.43 g/mol
LogP2.71
Rot. Bonds8

About N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-5-phenylpent-4-enamide

N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-5-phenylpent-4-enamide (PubChem CID 111436003) has the molecular formula C16H23NO2S and a molecular weight of 293.43 g/mol. Its IUPAC name is N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-5-phenylpent-4-enamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-5-phenylpent-4-enamide
PubChem CID111436003
Molecular FormulaC16H23NO2S
Molecular Weight293.43 g/mol
Exact Mass293.14
IUPAC NameN-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-5-phenylpent-4-enamide
SMILESCSCC(C)(O)CNC(=O)CCC=Cc1ccccc1
InChIInChI=1S/C16H23NO2S/c1-16(19,13-20-2)12-17-15(18)11-7-6-10-14-8-4-3-5-9-14/h3-6,8-10,19H,7,11-13H2,1-2H3,(H,17,18)
InChIKeyNQKZPZQQEFLCMQ-UHFFFAOYSA-N
XLogP2.71
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.43
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-hydroxy-2-thiophen-3-ylpropyl)-5-phenylpent-4-enamide
CID 111451822
(E)-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-2-phenylethenesulfonamide
CID 90523087
2-benzylsulfanyl-N-[(2S)-2-hydroxy-2-methyl-3-methylsulfanylpropyl]acetamide
CID 95984125
(E)-2-hydroxy-2-methyl-7-phenylhept-6-en-3-one
CID 89392767
N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-3-(5-phenylfuran-2-yl)propanamide
CID 111436212
N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-N'-phenyloxamide
CID 90523165
2-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)carbamoyl]benzoic acid
CID 106244371
N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-2-(2-hydroxyphenoxy)acetamide
CID 103822579
benzyl N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)carbamate
CID 103835599
N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-2-naphthalen-2-yloxyacetamide
CID 71787198
4-amino-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-4-methylpentanamide
CID 106247746
N-[(E)-4-phenylbut-3-enyl]pentanamide
CID 110667590

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-5-phenylpent-4-enamide?
The IUPAC name of N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-5-phenylpent-4-enamide (CID 111436003) is N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-5-phenylpent-4-enamide.
What is the SMILES notation for N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-5-phenylpent-4-enamide?
The canonical SMILES for N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-5-phenylpent-4-enamide is CSCC(C)(O)CNC(=O)CCC=Cc1ccccc1.
What is the InChIKey of N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-5-phenylpent-4-enamide?
The InChIKey is NQKZPZQQEFLCMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2S/c1-16(19,13-20-2)12-17-15(18)11-7-6-10-14-8-4-3-5-9-14/h3-6,8-10,19H,7,11-13H2,1-2H3,(H,17,18).
What are the key properties of N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-5-phenylpent-4-enamide?
N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-5-phenylpent-4-enamide has a molecular weight of 293.43 g/mol, XLogP of 2.71, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-5-phenylpent-4-enamide is sourced from PubChem (CID 111436003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).