2-(cyclopropylmethylsulfanyl)-N-[(1R)-3-hydroxy-1-(4-methylphenyl)propyl]acetamide

C16H23NO2S — CID 125159447

IUPAC2-(cyclopropylmethylsulfanyl)-N-[(1R)-3-hydroxy-1-(4-methylphenyl)propyl]acetamide
SMILESCc1ccc([C@@H](CCO)NC(=O)CSCC2CC2)cc1
InChIInChI=1S/C16H23NO2S/c1-12-2-6-14(7-3-12)15(8-9-18)17-16(19)11-20-10-13-4-5-13/h2-3,6-7,13,15,18H,4-5,8-11H2,1H3,(H,17,19)/t15-/m1/s1
InChIKeyYHFNSSDGTVQJLV-OAHLLOKOSA-N
MW293.43 g/mol
LogP2.68
Rot. Bonds8

About 2-(cyclopropylmethylsulfanyl)-N-[(1R)-3-hydroxy-1-(4-methylphenyl)propyl]acetamide

2-(cyclopropylmethylsulfanyl)-N-[(1R)-3-hydroxy-1-(4-methylphenyl)propyl]acetamide (PubChem CID 125159447) has the molecular formula C16H23NO2S and a molecular weight of 293.43 g/mol. Its IUPAC name is 2-(cyclopropylmethylsulfanyl)-N-[(1R)-3-hydroxy-1-(4-methylphenyl)propyl]acetamide.

Molecular Properties

Compound Name2-(cyclopropylmethylsulfanyl)-N-[(1R)-3-hydroxy-1-(4-methylphenyl)propyl]acetamide
PubChem CID125159447
Molecular FormulaC16H23NO2S
Molecular Weight293.43 g/mol
Exact Mass293.14
IUPAC Name2-(cyclopropylmethylsulfanyl)-N-[(1R)-3-hydroxy-1-(4-methylphenyl)propyl]acetamide
SMILESCc1ccc([C@@H](CCO)NC(=O)CSCC2CC2)cc1
InChIInChI=1S/C16H23NO2S/c1-12-2-6-14(7-3-12)15(8-9-18)17-16(19)11-20-10-13-4-5-13/h2-3,6-7,13,15,18H,4-5,8-11H2,1H3,(H,17,19)/t15-/m1/s1
InChIKeyYHFNSSDGTVQJLV-OAHLLOKOSA-N
XLogP2.68
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 ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,3S)-3-amino-2-hydroxy-N-[(1R)-2-hydroxy-1-phenylethyl]-4-(2-methylpropylsulfanyl)butanamide
CID 44381669
2-[2-[1-(4-Methylphenyl)ethylamino]-2-oxoethyl]sulfanylacetamide
CID 56818145
N-[(1S)-1-(4-fluorophenyl)-3-hydroxypropyl]-2-[2-(methylamino)ethylsulfanyl]acetamide
CID 146616009
N-[1-(4-fluorophenyl)-3-hydroxypropyl]-3-(2-methylpropyl)-1,3-thiazolidine-2-carboxamide
CID 174924384
N-[(1S)-1-(4-methylphenyl)-2-methylsulfanylethyl]acetamide
CID 134968298
N-[1-(4-fluorophenyl)ethyl]-2-(2-hydroxyethylsulfanyl)acetamide
CID 43392478
N-[(4-fluorophenyl)methyl]-2-(4-hydroxybutan-2-ylsulfanyl)acetamide
CID 65417720
N-[(3-fluoro-4-methylphenyl)methyl]-2-(4-hydroxybutan-2-ylsulfanyl)acetamide
CID 65417727
N-[(2-fluorophenyl)methyl]-2-(4-hydroxybutan-2-ylsulfanyl)acetamide
CID 65418808
N-[(3-fluoro-4-methylphenyl)methyl]-2-(3-hydroxy-2-methylpropyl)sulfanylacetamide
CID 65821095
N-[(4-fluorophenyl)methyl]-2-(3-hydroxy-2-methylpropyl)sulfanylacetamide
CID 65821712
N-[(2-fluorophenyl)methyl]-2-(3-hydroxy-2-methylpropyl)sulfanylacetamide
CID 65823155

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethylsulfanyl)-N-[(1R)-3-hydroxy-1-(4-methylphenyl)propyl]acetamide?
The IUPAC name of 2-(cyclopropylmethylsulfanyl)-N-[(1R)-3-hydroxy-1-(4-methylphenyl)propyl]acetamide (CID 125159447) is 2-(cyclopropylmethylsulfanyl)-N-[(1R)-3-hydroxy-1-(4-methylphenyl)propyl]acetamide.
What is the SMILES notation for 2-(cyclopropylmethylsulfanyl)-N-[(1R)-3-hydroxy-1-(4-methylphenyl)propyl]acetamide?
The canonical SMILES for 2-(cyclopropylmethylsulfanyl)-N-[(1R)-3-hydroxy-1-(4-methylphenyl)propyl]acetamide is Cc1ccc([C@@H](CCO)NC(=O)CSCC2CC2)cc1.
What is the InChIKey of 2-(cyclopropylmethylsulfanyl)-N-[(1R)-3-hydroxy-1-(4-methylphenyl)propyl]acetamide?
The InChIKey is YHFNSSDGTVQJLV-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H23NO2S/c1-12-2-6-14(7-3-12)15(8-9-18)17-16(19)11-20-10-13-4-5-13/h2-3,6-7,13,15,18H,4-5,8-11H2,1H3,(H,17,19)/t15-/m1/s1.
What are the key properties of 2-(cyclopropylmethylsulfanyl)-N-[(1R)-3-hydroxy-1-(4-methylphenyl)propyl]acetamide?
2-(cyclopropylmethylsulfanyl)-N-[(1R)-3-hydroxy-1-(4-methylphenyl)propyl]acetamide has a molecular weight of 293.43 g/mol, XLogP of 2.68, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethylsulfanyl)-N-[(1R)-3-hydroxy-1-(4-methylphenyl)propyl]acetamide is sourced from PubChem (CID 125159447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).