N-(3-bromophenyl)-2-[[(2R)-oxolan-2-yl]methylsulfanyl]benzamide

C18H18BrNO2S — CID 9042785

IUPACN-(3-bromophenyl)-2-[[(2R)-oxolan-2-yl]methylsulfanyl]benzamide
SMILESO=C(Nc1cccc(Br)c1)c1ccccc1SC[C@H]1CCCO1
InChIInChI=1S/C18H18BrNO2S/c19-13-5-3-6-14(11-13)20-18(21)16-8-1-2-9-17(16)23-12-15-7-4-10-22-15/h1-3,5-6,8-9,11,15H,4,7,10,12H2,(H,20,21)/t15-/m1/s1
InChIKeyGQDQOUNRMHUVSB-OAHLLOKOSA-N
MW392.32 g/mol
LogP4.97
Rot. Bonds5

About N-(3-bromophenyl)-2-[[(2R)-oxolan-2-yl]methylsulfanyl]benzamide

N-(3-bromophenyl)-2-[[(2R)-oxolan-2-yl]methylsulfanyl]benzamide (PubChem CID 9042785) has the molecular formula C18H18BrNO2S and a molecular weight of 392.32 g/mol. Its IUPAC name is N-(3-bromophenyl)-2-[[(2R)-oxolan-2-yl]methylsulfanyl]benzamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-2-[[(2R)-oxolan-2-yl]methylsulfanyl]benzamide
PubChem CID9042785
Molecular FormulaC18H18BrNO2S
Molecular Weight392.32 g/mol
Exact Mass391.02
IUPAC NameN-(3-bromophenyl)-2-[[(2R)-oxolan-2-yl]methylsulfanyl]benzamide
SMILESO=C(Nc1cccc(Br)c1)c1ccccc1SC[C@H]1CCCO1
InChIInChI=1S/C18H18BrNO2S/c19-13-5-3-6-14(11-13)20-18(21)16-8-1-2-9-17(16)23-12-15-7-4-10-22-15/h1-3,5-6,8-9,11,15H,4,7,10,12H2,(H,20,21)/t15-/m1/s1
InChIKeyGQDQOUNRMHUVSB-OAHLLOKOSA-N
XLogP4.97
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.32
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(oxolan-2-ylmethylsulfanyl)-N-[4-(phenylcarbamoylamino)phenyl]benzamide
CID 24676894
N-(4-acetamidophenyl)-2-[[(2R)-oxolan-2-yl]methylsulfanyl]benzamide
CID 9042411
N-[3-(cyclopropylsulfamoyl)phenyl]-2-(oxolan-2-ylmethylsulfanyl)benzamide
CID 55477836
N-[3-(2-amino-2-oxoethoxy)phenyl]-2-[[(2R)-oxolan-2-yl]methylsulfanyl]benzamide
CID 30594091
2-[[(2S)-oxolan-2-yl]methylsulfanyl]-N-(3-piperidin-1-ylsulfonylphenyl)benzamide
CID 40986092
diethyl 5-[[2-(oxolan-2-ylmethylsulfanyl)benzoyl]amino]benzene-1,3-dicarboxylate
CID 55395617
N-[4-(methylcarbamoylamino)phenyl]-2-(oxolan-2-ylmethylsulfanyl)benzamide
CID 55524091
N-(2,2-dimethyl-1,3-benzodioxol-5-yl)-2-(oxolan-2-ylmethylsulfanyl)benzamide
CID 71895364
N-(4-cyclopentylsulfanylphenyl)-2-(oxolan-2-ylmethylsulfanyl)benzamide
CID 55599322
N-(1-methyl-6-oxo-3-pyridinyl)-2-[[(2R)-oxolan-2-yl]methylsulfanyl]benzamide
CID 97009801
N-[4-(azepan-1-yl)phenyl]-2-[[(2R)-oxolan-2-yl]methylsulfanyl]benzamide
CID 9328245
N-(4-acetamido-2-chlorophenyl)-2-(oxolan-2-ylmethylsulfanyl)benzamide
CID 56580443

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-2-[[(2R)-oxolan-2-yl]methylsulfanyl]benzamide?
The IUPAC name of N-(3-bromophenyl)-2-[[(2R)-oxolan-2-yl]methylsulfanyl]benzamide (CID 9042785) is N-(3-bromophenyl)-2-[[(2R)-oxolan-2-yl]methylsulfanyl]benzamide.
What is the SMILES notation for N-(3-bromophenyl)-2-[[(2R)-oxolan-2-yl]methylsulfanyl]benzamide?
The canonical SMILES for N-(3-bromophenyl)-2-[[(2R)-oxolan-2-yl]methylsulfanyl]benzamide is O=C(Nc1cccc(Br)c1)c1ccccc1SC[C@H]1CCCO1.
What is the InChIKey of N-(3-bromophenyl)-2-[[(2R)-oxolan-2-yl]methylsulfanyl]benzamide?
The InChIKey is GQDQOUNRMHUVSB-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H18BrNO2S/c19-13-5-3-6-14(11-13)20-18(21)16-8-1-2-9-17(16)23-12-15-7-4-10-22-15/h1-3,5-6,8-9,11,15H,4,7,10,12H2,(H,20,21)/t15-/m1/s1.
What are the key properties of N-(3-bromophenyl)-2-[[(2R)-oxolan-2-yl]methylsulfanyl]benzamide?
N-(3-bromophenyl)-2-[[(2R)-oxolan-2-yl]methylsulfanyl]benzamide has a molecular weight of 392.32 g/mol, XLogP of 4.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-2-[[(2R)-oxolan-2-yl]methylsulfanyl]benzamide is sourced from PubChem (CID 9042785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).