N-[(1R)-1-(4-methoxyphenyl)ethyl]-2-methylsulfanylbenzamide

C17H19NO2S — CID 92683618

IUPACN-[(1R)-1-(4-methoxyphenyl)ethyl]-2-methylsulfanylbenzamide
SMILESCOc1ccc([C@@H](C)NC(=O)c2ccccc2SC)cc1
InChIInChI=1S/C17H19NO2S/c1-12(13-8-10-14(20-2)11-9-13)18-17(19)15-6-4-5-7-16(15)21-3/h4-12H,1-3H3,(H,18,19)/t12-/m1/s1
InChIKeyZQQIKQVSVMECPN-GFCCVEGCSA-N
MW301.41 g/mol
LogP3.91
Rot. Bonds5

About N-[(1R)-1-(4-methoxyphenyl)ethyl]-2-methylsulfanylbenzamide

N-[(1R)-1-(4-methoxyphenyl)ethyl]-2-methylsulfanylbenzamide (PubChem CID 92683618) has the molecular formula C17H19NO2S and a molecular weight of 301.41 g/mol. Its IUPAC name is N-[(1R)-1-(4-methoxyphenyl)ethyl]-2-methylsulfanylbenzamide.

Molecular Properties

Compound NameN-[(1R)-1-(4-methoxyphenyl)ethyl]-2-methylsulfanylbenzamide
PubChem CID92683618
Molecular FormulaC17H19NO2S
Molecular Weight301.41 g/mol
Exact Mass301.11
IUPAC NameN-[(1R)-1-(4-methoxyphenyl)ethyl]-2-methylsulfanylbenzamide
SMILESCOc1ccc([C@@H](C)NC(=O)c2ccccc2SC)cc1
InChIInChI=1S/C17H19NO2S/c1-12(13-8-10-14(20-2)11-9-13)18-17(19)15-6-4-5-7-16(15)21-3/h4-12H,1-3H3,(H,18,19)/t12-/m1/s1
InChIKeyZQQIKQVSVMECPN-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

2-chloro-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzamide
CID 976730
2-bromo-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzamide
CID 962592
2-iodo-N-[1-(4-methoxyphenyl)ethyl]benzamide
CID 3389695
N-[(1R)-1-(4-methoxyphenyl)ethyl]-2-(methylamino)benzamide
CID 81368855
2,3-difluoro-N-[1-(4-methoxyphenyl)ethyl]benzamide
CID 62865993
N-[(1R)-1-(4-methoxyphenyl)ethyl]-2-(trifluoromethyl)benzamide
CID 28560281
4-methoxy-N-[(1R)-1-(4-methylsulfanylphenyl)ethyl]benzamide
CID 28558127
2-methoxy-N-[1-(4-methoxyphenyl)ethyl]pyridine-3-carboxamide
CID 84580740
1-N,4-N-bis[(1S)-1-(4-methoxyphenyl)ethyl]benzene-1,4-dicarboxamide
CID 2211003
N-[1-(4-methoxyphenyl)ethyl]-2-(2-phenylethyl)benzamide
CID 46763830
3-bromo-2-chloro-N-[1-(4-methoxyphenyl)ethyl]benzamide
CID 103985509
2,4-difluoro-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzamide
CID 28560292

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4-methoxyphenyl)ethyl]-2-methylsulfanylbenzamide?
The IUPAC name of N-[(1R)-1-(4-methoxyphenyl)ethyl]-2-methylsulfanylbenzamide (CID 92683618) is N-[(1R)-1-(4-methoxyphenyl)ethyl]-2-methylsulfanylbenzamide.
What is the SMILES notation for N-[(1R)-1-(4-methoxyphenyl)ethyl]-2-methylsulfanylbenzamide?
The canonical SMILES for N-[(1R)-1-(4-methoxyphenyl)ethyl]-2-methylsulfanylbenzamide is COc1ccc([C@@H](C)NC(=O)c2ccccc2SC)cc1.
What is the InChIKey of N-[(1R)-1-(4-methoxyphenyl)ethyl]-2-methylsulfanylbenzamide?
The InChIKey is ZQQIKQVSVMECPN-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H19NO2S/c1-12(13-8-10-14(20-2)11-9-13)18-17(19)15-6-4-5-7-16(15)21-3/h4-12H,1-3H3,(H,18,19)/t12-/m1/s1.
What are the key properties of N-[(1R)-1-(4-methoxyphenyl)ethyl]-2-methylsulfanylbenzamide?
N-[(1R)-1-(4-methoxyphenyl)ethyl]-2-methylsulfanylbenzamide 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 N-[(1R)-1-(4-methoxyphenyl)ethyl]-2-methylsulfanylbenzamide is sourced from PubChem (CID 92683618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).