2-ethylsulfanyl-N-[[(1R)-1-hydroxy-6-methoxy-3,4-dihydro-2H-naphthalen-1-yl]methyl]benzamide

C21H25NO3S — CID 100731123

IUPAC2-ethylsulfanyl-N-[[(1R)-1-hydroxy-6-methoxy-3,4-dihydro-2H-naphthalen-1-yl]methyl]benzamide
SMILESCCSc1ccccc1C(=O)NC[C@@]1(O)CCCc2cc(OC)ccc21
InChIInChI=1S/C21H25NO3S/c1-3-26-19-9-5-4-8-17(19)20(23)22-14-21(24)12-6-7-15-13-16(25-2)10-11-18(15)21/h4-5,8-11,13,24H,3,6-7,12,14H2,1-2H3,(H,22,23)/t21-/m0/s1
InChIKeyQKPDFYFCBGHLOQ-NRFANRHFSA-N
MW371.50 g/mol
LogP3.76
Rot. Bonds6

About 2-ethylsulfanyl-N-[[(1R)-1-hydroxy-6-methoxy-3,4-dihydro-2H-naphthalen-1-yl]methyl]benzamide

2-ethylsulfanyl-N-[[(1R)-1-hydroxy-6-methoxy-3,4-dihydro-2H-naphthalen-1-yl]methyl]benzamide (PubChem CID 100731123) has the molecular formula C21H25NO3S and a molecular weight of 371.50 g/mol. Its IUPAC name is 2-ethylsulfanyl-N-[[(1R)-1-hydroxy-6-methoxy-3,4-dihydro-2H-naphthalen-1-yl]methyl]benzamide.

Molecular Properties

Compound Name2-ethylsulfanyl-N-[[(1R)-1-hydroxy-6-methoxy-3,4-dihydro-2H-naphthalen-1-yl]methyl]benzamide
PubChem CID100731123
Molecular FormulaC21H25NO3S
Molecular Weight371.50 g/mol
Exact Mass371.16
IUPAC Name2-ethylsulfanyl-N-[[(1R)-1-hydroxy-6-methoxy-3,4-dihydro-2H-naphthalen-1-yl]methyl]benzamide
SMILESCCSc1ccccc1C(=O)NC[C@@]1(O)CCCc2cc(OC)ccc21
InChIInChI=1S/C21H25NO3S/c1-3-26-19-9-5-4-8-17(19)20(23)22-14-21(24)12-6-7-15-13-16(25-2)10-11-18(15)21/h4-5,8-11,13,24H,3,6-7,12,14H2,1-2H3,(H,22,23)/t21-/m0/s1
InChIKeyQKPDFYFCBGHLOQ-NRFANRHFSA-N
XLogP3.76
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.50
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-ethylsulfanyl-N-[[(1R)-1-hydroxy-6-methoxy-3,4-dihydro-2H-naphthalen-1-yl]methyl]benzamide with MolForge

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Related Compounds

N-[(1-hydroxy-6-methoxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]-2,5-dimethylfuran-3-carboxamide
CID 86267189
N-[[(1S)-1-hydroxy-6-methoxy-3,4-dihydro-2H-naphthalen-1-yl]methyl]-1-benzothiophene-2-carboxamide
CID 129416993
N-[(1-hydroxy-6-methoxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]-2,2-dimethylpropanamide
CID 91631098
N-[[(1S)-1-hydroxy-6-methoxy-3,4-dihydro-2H-naphthalen-1-yl]methyl]-2,2-dimethylpropanamide
CID 100730792
2-ethoxy-N-[(1-hydroxy-6-methoxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]acetamide
CID 91631099
N-[(1-hydroxy-6-methoxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]thiophene-3-carboxamide
CID 86267187
2-bromo-N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-5-methoxybenzamide
CID 71782171
N-[[(1R)-1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl]methyl]-2,3-dimethoxybenzamide
CID 95177159
N-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]-2-(3-methoxyphenyl)acetamide
CID 111110490
2-chloro-N-[[(1R)-1-hydroxy-6-methoxy-3,4-dihydro-2H-naphthalen-1-yl]methyl]benzenesulfonamide
CID 100731565
N-[(4-fluorophenyl)methyl]-N'-[[(1R)-1-hydroxy-6-methoxy-3,4-dihydro-2H-naphthalen-1-yl]methyl]oxamide
CID 100732100
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1-hydroxy-6-methoxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]acetamide
CID 91631115

Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfanyl-N-[[(1R)-1-hydroxy-6-methoxy-3,4-dihydro-2H-naphthalen-1-yl]methyl]benzamide?
The IUPAC name of 2-ethylsulfanyl-N-[[(1R)-1-hydroxy-6-methoxy-3,4-dihydro-2H-naphthalen-1-yl]methyl]benzamide (CID 100731123) is 2-ethylsulfanyl-N-[[(1R)-1-hydroxy-6-methoxy-3,4-dihydro-2H-naphthalen-1-yl]methyl]benzamide.
What is the SMILES notation for 2-ethylsulfanyl-N-[[(1R)-1-hydroxy-6-methoxy-3,4-dihydro-2H-naphthalen-1-yl]methyl]benzamide?
The canonical SMILES for 2-ethylsulfanyl-N-[[(1R)-1-hydroxy-6-methoxy-3,4-dihydro-2H-naphthalen-1-yl]methyl]benzamide is CCSc1ccccc1C(=O)NC[C@@]1(O)CCCc2cc(OC)ccc21.
What is the InChIKey of 2-ethylsulfanyl-N-[[(1R)-1-hydroxy-6-methoxy-3,4-dihydro-2H-naphthalen-1-yl]methyl]benzamide?
The InChIKey is QKPDFYFCBGHLOQ-NRFANRHFSA-N. The full InChI is InChI=1S/C21H25NO3S/c1-3-26-19-9-5-4-8-17(19)20(23)22-14-21(24)12-6-7-15-13-16(25-2)10-11-18(15)21/h4-5,8-11,13,24H,3,6-7,12,14H2,1-2H3,(H,22,23)/t21-/m0/s1.
What are the key properties of 2-ethylsulfanyl-N-[[(1R)-1-hydroxy-6-methoxy-3,4-dihydro-2H-naphthalen-1-yl]methyl]benzamide?
2-ethylsulfanyl-N-[[(1R)-1-hydroxy-6-methoxy-3,4-dihydro-2H-naphthalen-1-yl]methyl]benzamide has a molecular weight of 371.50 g/mol, XLogP of 3.76, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfanyl-N-[[(1R)-1-hydroxy-6-methoxy-3,4-dihydro-2H-naphthalen-1-yl]methyl]benzamide is sourced from PubChem (CID 100731123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).