2-benzylsulfanyl-N-[[(2S)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]acetamide

C20H23NO2S — CID 97105800

IUPAC2-benzylsulfanyl-N-[[(2S)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]acetamide
SMILESO=C(CSCc1ccccc1)NC[C@]1(O)CCc2ccccc2C1
InChIInChI=1S/C20H23NO2S/c22-19(14-24-13-16-6-2-1-3-7-16)21-15-20(23)11-10-17-8-4-5-9-18(17)12-20/h1-9,23H,10-15H2,(H,21,22)/t20-/m0/s1
InChIKeyIMXCFKGQRVJOJK-FQEVSTJZSA-N
MW341.48 g/mol
LogP2.96
Rot. Bonds6

About 2-benzylsulfanyl-N-[[(2S)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]acetamide

2-benzylsulfanyl-N-[[(2S)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]acetamide (PubChem CID 97105800) has the molecular formula C20H23NO2S and a molecular weight of 341.48 g/mol. Its IUPAC name is 2-benzylsulfanyl-N-[[(2S)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]acetamide.

Molecular Properties

Compound Name2-benzylsulfanyl-N-[[(2S)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]acetamide
PubChem CID97105800
Molecular FormulaC20H23NO2S
Molecular Weight341.48 g/mol
Exact Mass341.14
IUPAC Name2-benzylsulfanyl-N-[[(2S)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]acetamide
SMILESO=C(CSCc1ccccc1)NC[C@]1(O)CCc2ccccc2C1
InChIInChI=1S/C20H23NO2S/c22-19(14-24-13-16-6-2-1-3-7-16)21-15-20(23)11-10-17-8-4-5-9-18(17)12-20/h1-9,23H,10-15H2,(H,21,22)/t20-/m0/s1
InChIKeyIMXCFKGQRVJOJK-FQEVSTJZSA-N
XLogP2.96
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.48
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-benzylsulfanyl-N-[[(2R)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]acetamide
CID 97105801
N'-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methyl]oxamide
CID 90581329
methyl N-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methyl]carbamate
CID 90581032
2-benzylsulfanyl-N-[2-[(2-benzylsulfanylacetyl)amino]ethyl]acetamide
CID 7784841
3-cyclopentyl-N-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methyl]propanamide
CID 90581058
N-[(1-hydroxycyclobutyl)methyl]-2-(pyridin-4-ylmethylsulfanyl)acetamide
CID 111445795
N-[[(2S)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]furan-3-carboxamide
CID 97042651
2-[(4-cyanophenyl)methylsulfanyl]-N-[(1-hydroxycyclobutyl)methyl]acetamide
CID 111445375
2-(4-fluorophenoxy)-N-[(2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl)methyl]acetamide
CID 90581093
2-[(3-chlorophenyl)methylsulfanyl]-N-[[1-(hydroxymethyl)cyclopentyl]methyl]acetamide
CID 115362449
2-[(4-chlorophenyl)methylsulfanyl]-N-[[1-(hydroxymethyl)cyclopropyl]methyl]acetamide
CID 80710808
N-[[(2S)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]-N'-(2,2,2-trifluoroethyl)oxamide
CID 97042707

Frequently Asked Questions

What is the IUPAC name of 2-benzylsulfanyl-N-[[(2S)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]acetamide?
The IUPAC name of 2-benzylsulfanyl-N-[[(2S)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]acetamide (CID 97105800) is 2-benzylsulfanyl-N-[[(2S)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]acetamide.
What is the SMILES notation for 2-benzylsulfanyl-N-[[(2S)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]acetamide?
The canonical SMILES for 2-benzylsulfanyl-N-[[(2S)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]acetamide is O=C(CSCc1ccccc1)NC[C@]1(O)CCc2ccccc2C1.
What is the InChIKey of 2-benzylsulfanyl-N-[[(2S)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]acetamide?
The InChIKey is IMXCFKGQRVJOJK-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H23NO2S/c22-19(14-24-13-16-6-2-1-3-7-16)21-15-20(23)11-10-17-8-4-5-9-18(17)12-20/h1-9,23H,10-15H2,(H,21,22)/t20-/m0/s1.
What are the key properties of 2-benzylsulfanyl-N-[[(2S)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]acetamide?
2-benzylsulfanyl-N-[[(2S)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]acetamide has a molecular weight of 341.48 g/mol, XLogP of 2.96, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylsulfanyl-N-[[(2S)-2-hydroxy-3,4-dihydro-1H-naphthalen-2-yl]methyl]acetamide is sourced from PubChem (CID 97105800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).