4-methoxy-N-[(1R)-1-(4-methylsulfanylphenyl)ethyl]benzamide

C17H19NO2S — CID 28558127

IUPAC4-methoxy-N-[(1R)-1-(4-methylsulfanylphenyl)ethyl]benzamide
SMILESCOc1ccc(C(=O)N[C@H](C)c2ccc(SC)cc2)cc1
InChIInChI=1S/C17H19NO2S/c1-12(13-6-10-16(21-3)11-7-13)18-17(19)14-4-8-15(20-2)9-5-14/h4-12H,1-3H3,(H,18,19)/t12-/m1/s1
InChIKeyFSQDOZGKMDZZHL-GFCCVEGCSA-N
MW301.41 g/mol
LogP3.91
Rot. Bonds5

About 4-methoxy-N-[(1R)-1-(4-methylsulfanylphenyl)ethyl]benzamide

4-methoxy-N-[(1R)-1-(4-methylsulfanylphenyl)ethyl]benzamide (PubChem CID 28558127) has the molecular formula C17H19NO2S and a molecular weight of 301.41 g/mol. Its IUPAC name is 4-methoxy-N-[(1R)-1-(4-methylsulfanylphenyl)ethyl]benzamide.

Molecular Properties

Compound Name4-methoxy-N-[(1R)-1-(4-methylsulfanylphenyl)ethyl]benzamide
PubChem CID28558127
Molecular FormulaC17H19NO2S
Molecular Weight301.41 g/mol
Exact Mass301.11
IUPAC Name4-methoxy-N-[(1R)-1-(4-methylsulfanylphenyl)ethyl]benzamide
SMILESCOc1ccc(C(=O)N[C@H](C)c2ccc(SC)cc2)cc1
InChIInChI=1S/C17H19NO2S/c1-12(13-6-10-16(21-3)11-7-13)18-17(19)14-4-8-15(20-2)9-5-14/h4-12H,1-3H3,(H,18,19)/t12-/m1/s1
InChIKeyFSQDOZGKMDZZHL-GFCCVEGCSA-N
XLogP3.91
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-N,4-N-bis[(1S)-1-(4-methoxyphenyl)ethyl]benzene-1,4-dicarboxamide
CID 2211003
N-[1-(4-fluorophenyl)ethyl]-4-methoxybenzamide
CID 17406706
N-hydroxy-4-[(1R)-1-[(4-methoxybenzoyl)amino]ethyl]benzamide
CID 58417539
4-amino-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzamide
CID 81364308
4-chloro-N-[1-(4-methylsulfanylphenyl)ethyl]benzamide
CID 43874065
N-[1-(3,4-dimethoxyphenyl)ethyl]-4-methylsulfanylbenzamide
CID 78852706
4-[ethyl-(4-methylsulfanylphenyl)sulfonylamino]-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzamide
CID 94013014
N-[(1S)-1-(4-methoxyphenyl)ethyl]-4-phenylbenzamide
CID 977346
N-[(1S)-1-(4-ethoxyphenyl)ethyl]-4-methoxybenzamide
CID 880654
N-[1-(4-methylsulfanylphenyl)ethyl]pyridine-4-carboxamide
CID 42959631
3,4-dimethoxy-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzamide
CID 831207
4-methoxy-N-[(1R)-1-naphthalen-2-ylethyl]benzamide
CID 977744

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[(1R)-1-(4-methylsulfanylphenyl)ethyl]benzamide?
The IUPAC name of 4-methoxy-N-[(1R)-1-(4-methylsulfanylphenyl)ethyl]benzamide (CID 28558127) is 4-methoxy-N-[(1R)-1-(4-methylsulfanylphenyl)ethyl]benzamide.
What is the SMILES notation for 4-methoxy-N-[(1R)-1-(4-methylsulfanylphenyl)ethyl]benzamide?
The canonical SMILES for 4-methoxy-N-[(1R)-1-(4-methylsulfanylphenyl)ethyl]benzamide is COc1ccc(C(=O)N[C@H](C)c2ccc(SC)cc2)cc1.
What is the InChIKey of 4-methoxy-N-[(1R)-1-(4-methylsulfanylphenyl)ethyl]benzamide?
The InChIKey is FSQDOZGKMDZZHL-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H19NO2S/c1-12(13-6-10-16(21-3)11-7-13)18-17(19)14-4-8-15(20-2)9-5-14/h4-12H,1-3H3,(H,18,19)/t12-/m1/s1.
What are the key properties of 4-methoxy-N-[(1R)-1-(4-methylsulfanylphenyl)ethyl]benzamide?
4-methoxy-N-[(1R)-1-(4-methylsulfanylphenyl)ethyl]benzamide has a molecular weight of 301.41 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[(1R)-1-(4-methylsulfanylphenyl)ethyl]benzamide is sourced from PubChem (CID 28558127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).