N-[(1S)-1-(3-bromophenyl)ethyl]-2-[(R)-ethylsulfinyl]benzamide

C17H18BrNO2S — CID 97311230

IUPACN-[(1S)-1-(3-bromophenyl)ethyl]-2-[(R)-ethylsulfinyl]benzamide
SMILESCC[S@@](=O)c1ccccc1C(=O)N[C@@H](C)c1cccc(Br)c1
InChIInChI=1S/C17H18BrNO2S/c1-3-22(21)16-10-5-4-9-15(16)17(20)19-12(2)13-7-6-8-14(18)11-13/h4-12H,3H2,1-2H3,(H,19,20)/t12-,22+/m0/s1
InChIKeyOBEGAEUUDGTEFT-AMXDTQDGSA-N
MW380.31 g/mol
LogP4.07
Rot. Bonds5

About N-[(1S)-1-(3-bromophenyl)ethyl]-2-[(R)-ethylsulfinyl]benzamide

N-[(1S)-1-(3-bromophenyl)ethyl]-2-[(R)-ethylsulfinyl]benzamide (PubChem CID 97311230) has the molecular formula C17H18BrNO2S and a molecular weight of 380.31 g/mol. Its IUPAC name is N-[(1S)-1-(3-bromophenyl)ethyl]-2-[(R)-ethylsulfinyl]benzamide.

Molecular Properties

Compound NameN-[(1S)-1-(3-bromophenyl)ethyl]-2-[(R)-ethylsulfinyl]benzamide
PubChem CID97311230
Molecular FormulaC17H18BrNO2S
Molecular Weight380.31 g/mol
Exact Mass379.02
IUPAC NameN-[(1S)-1-(3-bromophenyl)ethyl]-2-[(R)-ethylsulfinyl]benzamide
SMILESCC[S@@](=O)c1ccccc1C(=O)N[C@@H](C)c1cccc(Br)c1
InChIInChI=1S/C17H18BrNO2S/c1-3-22(21)16-10-5-4-9-15(16)17(20)19-12(2)13-7-6-8-14(18)11-13/h4-12H,3H2,1-2H3,(H,19,20)/t12-,22+/m0/s1
InChIKeyOBEGAEUUDGTEFT-AMXDTQDGSA-N
XLogP4.07
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.31
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(1S)-1-(3-bromophenyl)ethyl]-2-[(R)-ethylsulfinyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(R)-ethylsulfinyl]-N-[(1S)-1-(4-phenylphenyl)ethyl]benzamide
CID 39952272
2-amino-N-[1-(3-bromophenyl)ethyl]benzamide
CID 61021681
N-[(1S)-1-(3-bromophenyl)ethyl]-2-(ethylamino)benzamide
CID 81381793
3-bromo-N-[1-(3-bromophenyl)ethyl]-2-fluorobenzamide
CID 107951327
2-amino-4-bromo-N-[(1S)-1-(3-bromophenyl)ethyl]benzamide
CID 81376479
5-bromo-N-[1-(3-bromophenyl)ethyl]-2-fluorobenzamide
CID 46582103
4-bromo-N-[1-(3-bromophenyl)ethyl]-1-ethylpyrrole-2-carboxamide
CID 63529315
2-bromo-N-[1-(3-bromophenyl)ethyl]-4-chlorobenzamide
CID 107987920
N-[(1R)-1-(3-bromophenyl)ethyl]-2,4-dichlorobenzamide
CID 28558105
2-[(3-bromobenzoyl)amino]-N-(1-phenylethyl)benzamide
CID 54790772
N-[1-(3-bromophenyl)ethyl]-4-fluoro-2-hydroxybenzamide
CID 107015012
N-[1-(3-bromophenyl)ethyl]-2-methylpropanamide
CID 55029103

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(3-bromophenyl)ethyl]-2-[(R)-ethylsulfinyl]benzamide?
The IUPAC name of N-[(1S)-1-(3-bromophenyl)ethyl]-2-[(R)-ethylsulfinyl]benzamide (CID 97311230) is N-[(1S)-1-(3-bromophenyl)ethyl]-2-[(R)-ethylsulfinyl]benzamide.
What is the SMILES notation for N-[(1S)-1-(3-bromophenyl)ethyl]-2-[(R)-ethylsulfinyl]benzamide?
The canonical SMILES for N-[(1S)-1-(3-bromophenyl)ethyl]-2-[(R)-ethylsulfinyl]benzamide is CC[S@@](=O)c1ccccc1C(=O)N[C@@H](C)c1cccc(Br)c1.
What is the InChIKey of N-[(1S)-1-(3-bromophenyl)ethyl]-2-[(R)-ethylsulfinyl]benzamide?
The InChIKey is OBEGAEUUDGTEFT-AMXDTQDGSA-N. The full InChI is InChI=1S/C17H18BrNO2S/c1-3-22(21)16-10-5-4-9-15(16)17(20)19-12(2)13-7-6-8-14(18)11-13/h4-12H,3H2,1-2H3,(H,19,20)/t12-,22+/m0/s1.
What are the key properties of N-[(1S)-1-(3-bromophenyl)ethyl]-2-[(R)-ethylsulfinyl]benzamide?
N-[(1S)-1-(3-bromophenyl)ethyl]-2-[(R)-ethylsulfinyl]benzamide has a molecular weight of 380.31 g/mol, XLogP of 4.07, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(3-bromophenyl)ethyl]-2-[(R)-ethylsulfinyl]benzamide is sourced from PubChem (CID 97311230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).