N-[(1S)-5-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]-2-(3-phenylpropylsulfanyl)acetamide

C21H25NO2S — CID 99795342

IUPACN-[(1S)-5-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]-2-(3-phenylpropylsulfanyl)acetamide
SMILESO=C(CSCCCc1ccccc1)N[C@H]1CCCc2c(O)cccc21
InChIInChI=1S/C21H25NO2S/c23-20-13-5-10-17-18(20)11-4-12-19(17)22-21(24)15-25-14-6-9-16-7-2-1-3-8-16/h1-3,5,7-8,10,13,19,23H,4,6,9,11-12,14-15H2,(H,22,24)/t19-/m0/s1
InChIKeyQQCNKRWYBXATEL-IBGZPJMESA-N
MW355.50 g/mol
LogP4.25
Rot. Bonds7

About N-[(1S)-5-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]-2-(3-phenylpropylsulfanyl)acetamide

N-[(1S)-5-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]-2-(3-phenylpropylsulfanyl)acetamide (PubChem CID 99795342) has the molecular formula C21H25NO2S and a molecular weight of 355.50 g/mol. Its IUPAC name is N-[(1S)-5-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]-2-(3-phenylpropylsulfanyl)acetamide.

Molecular Properties

Compound NameN-[(1S)-5-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]-2-(3-phenylpropylsulfanyl)acetamide
PubChem CID99795342
Molecular FormulaC21H25NO2S
Molecular Weight355.50 g/mol
Exact Mass355.16
IUPAC NameN-[(1S)-5-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]-2-(3-phenylpropylsulfanyl)acetamide
SMILESO=C(CSCCCc1ccccc1)N[C@H]1CCCc2c(O)cccc21
InChIInChI=1S/C21H25NO2S/c23-20-13-5-10-17-18(20)11-4-12-19(17)22-21(24)15-25-14-6-9-16-7-2-1-3-8-16/h1-3,5,7-8,10,13,19,23H,4,6,9,11-12,14-15H2,(H,22,24)/t19-/m0/s1
InChIKeyQQCNKRWYBXATEL-IBGZPJMESA-N
XLogP4.25
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.50
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-[[(1S)-4-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-2-oxoethyl]-2-phenylacetamide
CID 95146524
cis-(1S,2R)-2-[[2-(3-phenylpropylsulfanyl)acetyl]amino]cyclopentane-1-carboxamide
CID 96519273
(2S)-2-butylsulfanyl-N-[(1R)-5-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 99795365
N-[2-[(5-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]-2-oxoethyl]-3,5-dimethylbenzamide
CID 126776325
2-[(4-bromo-2-fluorophenyl)methylsulfanyl]-N-(4-hydroxy-2,3-dihydro-1H-inden-1-yl)acetamide
CID 86937510
2-phenylsulfanyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 2707705
N-[(1R)-5-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]oxane-4-carboxamide
CID 99795360
N-[(4S)-1-benzyl-4,5,6,7-tetrahydroindazol-4-yl]-2-(2-hydroxyphenyl)acetamide
CID 52513366
2-[(2,6-dichlorophenyl)methylsulfanyl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 30389296
[2-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl] benzenecarbodithioate
CID 3819603
2-[(4-methylsulfanylphenyl)methylsulfanyl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 31548705
2-benzylsulfanyl-N-(3,4-dihydro-2H-chromen-4-yl)acetamide
CID 18164391

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-5-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]-2-(3-phenylpropylsulfanyl)acetamide?
The IUPAC name of N-[(1S)-5-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]-2-(3-phenylpropylsulfanyl)acetamide (CID 99795342) is N-[(1S)-5-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]-2-(3-phenylpropylsulfanyl)acetamide.
What is the SMILES notation for N-[(1S)-5-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]-2-(3-phenylpropylsulfanyl)acetamide?
The canonical SMILES for N-[(1S)-5-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]-2-(3-phenylpropylsulfanyl)acetamide is O=C(CSCCCc1ccccc1)N[C@H]1CCCc2c(O)cccc21.
What is the InChIKey of N-[(1S)-5-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]-2-(3-phenylpropylsulfanyl)acetamide?
The InChIKey is QQCNKRWYBXATEL-IBGZPJMESA-N. The full InChI is InChI=1S/C21H25NO2S/c23-20-13-5-10-17-18(20)11-4-12-19(17)22-21(24)15-25-14-6-9-16-7-2-1-3-8-16/h1-3,5,7-8,10,13,19,23H,4,6,9,11-12,14-15H2,(H,22,24)/t19-/m0/s1.
What are the key properties of N-[(1S)-5-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]-2-(3-phenylpropylsulfanyl)acetamide?
N-[(1S)-5-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]-2-(3-phenylpropylsulfanyl)acetamide has a molecular weight of 355.50 g/mol, XLogP of 4.25, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-5-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]-2-(3-phenylpropylsulfanyl)acetamide is sourced from PubChem (CID 99795342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).