2-(4-bromophenoxy)-N-[2-[(2-methylphenyl)methylsulfanyl]ethyl]propanamide

C19H22BrNO2S — CID 132663118

IUPAC2-(4-bromophenoxy)-N-[2-[(2-methylphenyl)methylsulfanyl]ethyl]propanamide
SMILESCc1ccccc1CSCCNC(=O)C(C)Oc1ccc(Br)cc1
InChIInChI=1S/C19H22BrNO2S/c1-14-5-3-4-6-16(14)13-24-12-11-21-19(22)15(2)23-18-9-7-17(20)8-10-18/h3-10,15H,11-13H2,1-2H3,(H,21,22)
InChIKeyIWQRZJISTRRIAM-UHFFFAOYSA-N
MW408.36 g/mol
LogP4.57
Rot. Bonds8

About 2-(4-bromophenoxy)-N-[2-[(2-methylphenyl)methylsulfanyl]ethyl]propanamide

2-(4-bromophenoxy)-N-[2-[(2-methylphenyl)methylsulfanyl]ethyl]propanamide (PubChem CID 132663118) has the molecular formula C19H22BrNO2S and a molecular weight of 408.36 g/mol. Its IUPAC name is 2-(4-bromophenoxy)-N-[2-[(2-methylphenyl)methylsulfanyl]ethyl]propanamide.

Molecular Properties

Compound Name2-(4-bromophenoxy)-N-[2-[(2-methylphenyl)methylsulfanyl]ethyl]propanamide
PubChem CID132663118
Molecular FormulaC19H22BrNO2S
Molecular Weight408.36 g/mol
Exact Mass407.06
IUPAC Name2-(4-bromophenoxy)-N-[2-[(2-methylphenyl)methylsulfanyl]ethyl]propanamide
SMILESCc1ccccc1CSCCNC(=O)C(C)Oc1ccc(Br)cc1
InChIInChI=1S/C19H22BrNO2S/c1-14-5-3-4-6-16(14)13-24-12-11-21-19(22)15(2)23-18-9-7-17(20)8-10-18/h3-10,15H,11-13H2,1-2H3,(H,21,22)
InChIKeyIWQRZJISTRRIAM-UHFFFAOYSA-N
XLogP4.57
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.36
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(4-chloro-3-methylphenoxy)-N-[2-[(2-methylphenyl)methylsulfanyl]ethyl]propanamide
CID 132656767
2-(4-bromophenoxy)-N-[(2-methylphenyl)methyl]propanamide
CID 84929552
N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2-phenoxypropanamide
CID 132651623
(2S)-N-(2-benzylsulfanylethyl)-2-(4-methoxyphenoxy)propanamide
CID 42115635
(2R)-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2-(2-methylphenoxy)propanamide
CID 94012917
(2S)-2-(3,4-dimethylphenoxy)-N-[2-[(2-methylphenyl)methylsulfanyl]ethyl]butanamide
CID 94012140
2-(4-bromophenoxy)-N-[2-(2-fluorophenyl)ethyl]propanamide
CID 43017424
2-(4-tert-butylphenoxy)-N-[2-[(2-methylphenyl)methylsulfanyl]ethyl]butanamide
CID 132661123
(2R)-N-(2-benzylsulfanylethyl)-2-(4-fluorophenoxy)propanamide
CID 26075071
(2S)-N-(2-benzylsulfanylethyl)-2-(4-chlorophenoxy)propanamide
CID 27861137
2-(4-methylphenoxy)-N-[2-(2-methylphenyl)ethyl]propanamide
CID 18114534
N-(2-benzylsulfanylethyl)-2-(2-methylphenoxy)propanamide
CID 46773020

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenoxy)-N-[2-[(2-methylphenyl)methylsulfanyl]ethyl]propanamide?
The IUPAC name of 2-(4-bromophenoxy)-N-[2-[(2-methylphenyl)methylsulfanyl]ethyl]propanamide (CID 132663118) is 2-(4-bromophenoxy)-N-[2-[(2-methylphenyl)methylsulfanyl]ethyl]propanamide.
What is the SMILES notation for 2-(4-bromophenoxy)-N-[2-[(2-methylphenyl)methylsulfanyl]ethyl]propanamide?
The canonical SMILES for 2-(4-bromophenoxy)-N-[2-[(2-methylphenyl)methylsulfanyl]ethyl]propanamide is Cc1ccccc1CSCCNC(=O)C(C)Oc1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromophenoxy)-N-[2-[(2-methylphenyl)methylsulfanyl]ethyl]propanamide?
The InChIKey is IWQRZJISTRRIAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22BrNO2S/c1-14-5-3-4-6-16(14)13-24-12-11-21-19(22)15(2)23-18-9-7-17(20)8-10-18/h3-10,15H,11-13H2,1-2H3,(H,21,22).
What are the key properties of 2-(4-bromophenoxy)-N-[2-[(2-methylphenyl)methylsulfanyl]ethyl]propanamide?
2-(4-bromophenoxy)-N-[2-[(2-methylphenyl)methylsulfanyl]ethyl]propanamide has a molecular weight of 408.36 g/mol, XLogP of 4.57, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenoxy)-N-[2-[(2-methylphenyl)methylsulfanyl]ethyl]propanamide is sourced from PubChem (CID 132663118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).