2-methyl-N-[(1S)-1-(4-methylsulfanylphenyl)ethyl]benzamide

C17H19NOS — CID 34483278

IUPAC2-methyl-N-[(1S)-1-(4-methylsulfanylphenyl)ethyl]benzamide
SMILESCSc1ccc([C@H](C)NC(=O)c2ccccc2C)cc1
InChIInChI=1S/C17H19NOS/c1-12-6-4-5-7-16(12)17(19)18-13(2)14-8-10-15(20-3)11-9-14/h4-11,13H,1-3H3,(H,18,19)/t13-/m0/s1
InChIKeyGVRXJEVGSDBTTQ-ZDUSSCGKSA-N
MW285.41 g/mol
LogP4.21
Rot. Bonds4

About 2-methyl-N-[(1S)-1-(4-methylsulfanylphenyl)ethyl]benzamide

2-methyl-N-[(1S)-1-(4-methylsulfanylphenyl)ethyl]benzamide (PubChem CID 34483278) has the molecular formula C17H19NOS and a molecular weight of 285.41 g/mol. Its IUPAC name is 2-methyl-N-[(1S)-1-(4-methylsulfanylphenyl)ethyl]benzamide.

Molecular Properties

Compound Name2-methyl-N-[(1S)-1-(4-methylsulfanylphenyl)ethyl]benzamide
PubChem CID34483278
Molecular FormulaC17H19NOS
Molecular Weight285.41 g/mol
Exact Mass285.12
IUPAC Name2-methyl-N-[(1S)-1-(4-methylsulfanylphenyl)ethyl]benzamide
SMILESCSc1ccc([C@H](C)NC(=O)c2ccccc2C)cc1
InChIInChI=1S/C17H19NOS/c1-12-6-4-5-7-16(12)17(19)18-13(2)14-8-10-15(20-3)11-9-14/h4-11,13H,1-3H3,(H,18,19)/t13-/m0/s1
InChIKeyGVRXJEVGSDBTTQ-ZDUSSCGKSA-N
XLogP4.21
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-N-[(1S)-1-(4-methylphenyl)ethyl]benzamide
CID 30386627
2-methyl-N-[(1R)-1-phenylethyl]benzamide
CID 681346
N-[1-(4-ethylphenyl)ethyl]-2-methylbenzamide
CID 17326783
N-[(1S,2S)-1,3-dihydroxy-1-(4-methylsulfanylphenyl)propan-2-yl]-2-methylbenzamide
CID 11278979
2-fluoro-5-methyl-N-[1-(4-methylsulfanylphenyl)ethyl]benzamide
CID 62512005
2,3-dimethoxy-N-[1-(4-methylsulfanylphenyl)ethyl]benzamide
CID 46432760
4-chloro-N-[1-(4-methylsulfanylphenyl)ethyl]benzamide
CID 43874065
N-[1-(3,4-dimethoxyphenyl)ethyl]-2-methylbenzamide
CID 2894493
2-fluoro-N-[1-(4-methylphenyl)ethyl]benzamide
CID 46590164
N-[1-(4-bromophenyl)ethyl]-2-fluoro-3-methylbenzamide
CID 80718780
N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-2-methyl-5-methylsulfanylbenzamide
CID 55532925
2,4-dichloro-5-fluoro-N-[1-(4-methylsulfanylphenyl)ethyl]benzamide
CID 46436682

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(1S)-1-(4-methylsulfanylphenyl)ethyl]benzamide?
The IUPAC name of 2-methyl-N-[(1S)-1-(4-methylsulfanylphenyl)ethyl]benzamide (CID 34483278) is 2-methyl-N-[(1S)-1-(4-methylsulfanylphenyl)ethyl]benzamide.
What is the SMILES notation for 2-methyl-N-[(1S)-1-(4-methylsulfanylphenyl)ethyl]benzamide?
The canonical SMILES for 2-methyl-N-[(1S)-1-(4-methylsulfanylphenyl)ethyl]benzamide is CSc1ccc([C@H](C)NC(=O)c2ccccc2C)cc1.
What is the InChIKey of 2-methyl-N-[(1S)-1-(4-methylsulfanylphenyl)ethyl]benzamide?
The InChIKey is GVRXJEVGSDBTTQ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H19NOS/c1-12-6-4-5-7-16(12)17(19)18-13(2)14-8-10-15(20-3)11-9-14/h4-11,13H,1-3H3,(H,18,19)/t13-/m0/s1.
What are the key properties of 2-methyl-N-[(1S)-1-(4-methylsulfanylphenyl)ethyl]benzamide?
2-methyl-N-[(1S)-1-(4-methylsulfanylphenyl)ethyl]benzamide has a molecular weight of 285.41 g/mol, XLogP of 4.21, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(1S)-1-(4-methylsulfanylphenyl)ethyl]benzamide is sourced from PubChem (CID 34483278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).