N-(4-bromo-3-methylphenyl)-2-(4-methoxyphenyl)sulfanylpropanamide

C17H18BrNO2S — CID 43909486

IUPACN-(4-bromo-3-methylphenyl)-2-(4-methoxyphenyl)sulfanylpropanamide
SMILESCOc1ccc(SC(C)C(=O)Nc2ccc(Br)c(C)c2)cc1
InChIInChI=1S/C17H18BrNO2S/c1-11-10-13(4-9-16(11)18)19-17(20)12(2)22-15-7-5-14(21-3)6-8-15/h4-10,12H,1-3H3,(H,19,20)
InChIKeyCZSFVMZPEIQNAX-UHFFFAOYSA-N
MW380.31 g/mol
LogP4.89
Rot. Bonds5

About N-(4-bromo-3-methylphenyl)-2-(4-methoxyphenyl)sulfanylpropanamide

N-(4-bromo-3-methylphenyl)-2-(4-methoxyphenyl)sulfanylpropanamide (PubChem CID 43909486) has the molecular formula C17H18BrNO2S and a molecular weight of 380.31 g/mol. Its IUPAC name is N-(4-bromo-3-methylphenyl)-2-(4-methoxyphenyl)sulfanylpropanamide.

Molecular Properties

Compound NameN-(4-bromo-3-methylphenyl)-2-(4-methoxyphenyl)sulfanylpropanamide
PubChem CID43909486
Molecular FormulaC17H18BrNO2S
Molecular Weight380.31 g/mol
Exact Mass379.02
IUPAC NameN-(4-bromo-3-methylphenyl)-2-(4-methoxyphenyl)sulfanylpropanamide
SMILESCOc1ccc(SC(C)C(=O)Nc2ccc(Br)c(C)c2)cc1
InChIInChI=1S/C17H18BrNO2S/c1-11-10-13(4-9-16(11)18)19-17(20)12(2)22-15-7-5-14(21-3)6-8-15/h4-10,12H,1-3H3,(H,19,20)
InChIKeyCZSFVMZPEIQNAX-UHFFFAOYSA-N
XLogP4.89
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.31
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[1-(3,4-dimethylanilino)-1-oxopropan-2-yl]sulfanylphenyl]-4-methoxybenzamide
CID 22780100
(2R)-N-(3,4-difluorophenyl)-2-(4-methoxyphenyl)sulfanylpropanamide
CID 26373927
(2S)-N-(3-methoxyphenyl)-2-(4-methoxyphenyl)sulfanylpropanamide
CID 26649421
N-(4-aminophenyl)-2-(4-methoxyphenyl)sulfanylpropanamide
CID 43100763
(2S)-N-(4-methoxyphenyl)-2-phenylsulfanylpropanamide
CID 875705
(2S)-2-(4-methoxyphenyl)sulfanyl-N-(4-phenoxyphenyl)propanamide
CID 92676279
dimethyl 5-[[(2R)-2-(4-methoxyphenyl)sulfanylpropanoyl]amino]benzene-1,3-dicarboxylate
CID 32676593
methyl 3-[[(2R)-2-(4-methoxyphenyl)sulfanylpropanoyl]amino]benzoate
CID 92672238
(2R)-N-(4-chloro-2-methylphenyl)-2-(4-methoxyphenyl)sulfanylpropanamide
CID 32676805
(2R)-2-(4-methoxyphenyl)sulfanyl-N-methylpropanamide
CID 30378344
N-(4-bromo-3-methylphenyl)-4-methoxybenzamide
CID 710659
N-(2,4-dimethylphenyl)-2-(4-methoxyphenyl)sulfanylpropanamide
CID 43906041

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-methylphenyl)-2-(4-methoxyphenyl)sulfanylpropanamide?
The IUPAC name of N-(4-bromo-3-methylphenyl)-2-(4-methoxyphenyl)sulfanylpropanamide (CID 43909486) is N-(4-bromo-3-methylphenyl)-2-(4-methoxyphenyl)sulfanylpropanamide.
What is the SMILES notation for N-(4-bromo-3-methylphenyl)-2-(4-methoxyphenyl)sulfanylpropanamide?
The canonical SMILES for N-(4-bromo-3-methylphenyl)-2-(4-methoxyphenyl)sulfanylpropanamide is COc1ccc(SC(C)C(=O)Nc2ccc(Br)c(C)c2)cc1.
What is the InChIKey of N-(4-bromo-3-methylphenyl)-2-(4-methoxyphenyl)sulfanylpropanamide?
The InChIKey is CZSFVMZPEIQNAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrNO2S/c1-11-10-13(4-9-16(11)18)19-17(20)12(2)22-15-7-5-14(21-3)6-8-15/h4-10,12H,1-3H3,(H,19,20).
What are the key properties of N-(4-bromo-3-methylphenyl)-2-(4-methoxyphenyl)sulfanylpropanamide?
N-(4-bromo-3-methylphenyl)-2-(4-methoxyphenyl)sulfanylpropanamide has a molecular weight of 380.31 g/mol, XLogP of 4.89, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-methylphenyl)-2-(4-methoxyphenyl)sulfanylpropanamide is sourced from PubChem (CID 43909486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).