N-[2-[(R)-benzylsulfinyl]ethyl]-4-methylbenzamide

C17H19NO2S — CID 95619655

IUPACN-[2-[(R)-benzylsulfinyl]ethyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NCC[S@](=O)Cc2ccccc2)cc1
InChIInChI=1S/C17H19NO2S/c1-14-7-9-16(10-8-14)17(19)18-11-12-21(20)13-15-5-3-2-4-6-15/h2-10H,11-13H2,1H3,(H,18,19)/t21-/m0/s1
InChIKeyOIZZCDWLCOJPIU-NRFANRHFSA-N
MW301.41 g/mol
LogP2.67
Rot. Bonds6

About N-[2-[(R)-benzylsulfinyl]ethyl]-4-methylbenzamide

N-[2-[(R)-benzylsulfinyl]ethyl]-4-methylbenzamide (PubChem CID 95619655) has the molecular formula C17H19NO2S and a molecular weight of 301.41 g/mol. Its IUPAC name is N-[2-[(R)-benzylsulfinyl]ethyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[2-[(R)-benzylsulfinyl]ethyl]-4-methylbenzamide
PubChem CID95619655
Molecular FormulaC17H19NO2S
Molecular Weight301.41 g/mol
Exact Mass301.11
IUPAC NameN-[2-[(R)-benzylsulfinyl]ethyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NCC[S@](=O)Cc2ccccc2)cc1
InChIInChI=1S/C17H19NO2S/c1-14-7-9-16(10-8-14)17(19)18-11-12-21(20)13-15-5-3-2-4-6-15/h2-10H,11-13H2,1H3,(H,18,19)/t21-/m0/s1
InChIKeyOIZZCDWLCOJPIU-NRFANRHFSA-N
XLogP2.67
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-benzylsulfinylethyl)-3-[(4-methylphenyl)methyl]urea
CID 56787573
2-amino-N-(2-benzylsulfinylethyl)-2-methylpropanamide
CID 119321854
N-[2-[(S)-benzylsulfinyl]ethyl]-N'-(2-methylphenyl)oxamide
CID 95770934
N-[2-[(2-amino-3-phenylpropanoyl)amino]ethyl]-4-methylbenzamide
CID 119299595
N-(3,3-diphenylpropyl)-4-methylbenzamide
CID 1312769
N-[2-[(R)-benzylsulfinyl]ethyl]-3,3,3-trifluoropropanamide
CID 97082580
4-(2-benzylsulfinylethylcarbamoylamino)butanoic acid
CID 122002686
2-amino-N-(2-benzylsulfinylethyl)-2-phenylpropanamide
CID 120592045
N-[2-[[(2S)-2-amino-3-phenylpropanoyl]amino]ethyl]-4-methylbenzamide;hydrochloride
CID 119299589
1-N,4-N-bis(2-phenylethyl)benzene-1,4-dicarboxamide
CID 984633
4-methyl-N-[2-[(2-phenoxyacetyl)amino]ethyl]benzamide
CID 4615382
N-[(4-methylphenyl)methyl]-4-phenylbenzamide
CID 1228171

Frequently Asked Questions

What is the IUPAC name of N-[2-[(R)-benzylsulfinyl]ethyl]-4-methylbenzamide?
The IUPAC name of N-[2-[(R)-benzylsulfinyl]ethyl]-4-methylbenzamide (CID 95619655) is N-[2-[(R)-benzylsulfinyl]ethyl]-4-methylbenzamide.
What is the SMILES notation for N-[2-[(R)-benzylsulfinyl]ethyl]-4-methylbenzamide?
The canonical SMILES for N-[2-[(R)-benzylsulfinyl]ethyl]-4-methylbenzamide is Cc1ccc(C(=O)NCC[S@](=O)Cc2ccccc2)cc1.
What is the InChIKey of N-[2-[(R)-benzylsulfinyl]ethyl]-4-methylbenzamide?
The InChIKey is OIZZCDWLCOJPIU-NRFANRHFSA-N. The full InChI is InChI=1S/C17H19NO2S/c1-14-7-9-16(10-8-14)17(19)18-11-12-21(20)13-15-5-3-2-4-6-15/h2-10H,11-13H2,1H3,(H,18,19)/t21-/m0/s1.
What are the key properties of N-[2-[(R)-benzylsulfinyl]ethyl]-4-methylbenzamide?
N-[2-[(R)-benzylsulfinyl]ethyl]-4-methylbenzamide has a molecular weight of 301.41 g/mol, XLogP of 2.67, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(R)-benzylsulfinyl]ethyl]-4-methylbenzamide is sourced from PubChem (CID 95619655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).