N-[2-[(5-bromothiophen-2-yl)methylsulfanyl]ethyl]-2-(4-methoxyphenyl)acetamide

C16H18BrNO2S2 — CID 8757204

IUPACN-[2-[(5-bromothiophen-2-yl)methylsulfanyl]ethyl]-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)NCCSCc2ccc(Br)s2)cc1
InChIInChI=1S/C16H18BrNO2S2/c1-20-13-4-2-12(3-5-13)10-16(19)18-8-9-21-11-14-6-7-15(17)22-14/h2-7H,8-11H2,1H3,(H,18,19)
InChIKeyZUHZILYMFOAKIC-UHFFFAOYSA-N
MW400.36 g/mol
LogP4.11
Rot. Bonds8

About N-[2-[(5-bromothiophen-2-yl)methylsulfanyl]ethyl]-2-(4-methoxyphenyl)acetamide

N-[2-[(5-bromothiophen-2-yl)methylsulfanyl]ethyl]-2-(4-methoxyphenyl)acetamide (PubChem CID 8757204) has the molecular formula C16H18BrNO2S2 and a molecular weight of 400.36 g/mol. Its IUPAC name is N-[2-[(5-bromothiophen-2-yl)methylsulfanyl]ethyl]-2-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[2-[(5-bromothiophen-2-yl)methylsulfanyl]ethyl]-2-(4-methoxyphenyl)acetamide
PubChem CID8757204
Molecular FormulaC16H18BrNO2S2
Molecular Weight400.36 g/mol
Exact Mass399.00
IUPAC NameN-[2-[(5-bromothiophen-2-yl)methylsulfanyl]ethyl]-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)NCCSCc2ccc(Br)s2)cc1
InChIInChI=1S/C16H18BrNO2S2/c1-20-13-4-2-12(3-5-13)10-16(19)18-8-9-21-11-14-6-7-15(17)22-14/h2-7H,8-11H2,1H3,(H,18,19)
InChIKeyZUHZILYMFOAKIC-UHFFFAOYSA-N
XLogP4.11
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.36
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[(5-bromothiophen-2-yl)methylsulfanyl]ethyl]-2-(3-fluoro-4-methoxyphenyl)acetamide
CID 18278621
N-[(5-bromothiophen-2-yl)methyl]-2-(4-methoxyphenyl)acetamide
CID 32775638
N-[2-[(5-bromothiophen-2-yl)methylsulfanyl]ethyl]-3-methoxybenzamide
CID 8757202
3-(2-amino-2-oxoethyl)sulfanyl-N-[2-[(5-bromothiophen-2-yl)methylsulfanyl]ethyl]propanamide
CID 30874917
5-acetyl-N-[2-[(5-bromothiophen-2-yl)methylsulfanyl]ethyl]thiophene-2-carboxamide
CID 30874958
N-[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]ethyl]-2-(4-methoxyphenyl)acetamide
CID 30398881
N-(3-iodopropyl)-2-(4-methoxyphenyl)acetamide
CID 114504350
N-[2-(5-bromothiophen-2-yl)ethyl]-2-(5-methoxy-1H-indol-3-yl)acetamide
CID 78873467
2-(5-bromothiophen-2-yl)-N-(3-methoxypropyl)acetamide
CID 110767727
N-[2-[(5-bromothiophen-2-yl)methylsulfanyl]ethyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide
CID 24548887
(5-bromothiophen-2-yl)methyl-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-methylazanium
CID 9299518
N-[2-[[2-(4-fluorophenyl)acetyl]amino]ethyl]-2-(4-methoxyphenyl)acetamide
CID 108538633

Frequently Asked Questions

What is the IUPAC name of N-[2-[(5-bromothiophen-2-yl)methylsulfanyl]ethyl]-2-(4-methoxyphenyl)acetamide?
The IUPAC name of N-[2-[(5-bromothiophen-2-yl)methylsulfanyl]ethyl]-2-(4-methoxyphenyl)acetamide (CID 8757204) is N-[2-[(5-bromothiophen-2-yl)methylsulfanyl]ethyl]-2-(4-methoxyphenyl)acetamide.
What is the SMILES notation for N-[2-[(5-bromothiophen-2-yl)methylsulfanyl]ethyl]-2-(4-methoxyphenyl)acetamide?
The canonical SMILES for N-[2-[(5-bromothiophen-2-yl)methylsulfanyl]ethyl]-2-(4-methoxyphenyl)acetamide is COc1ccc(CC(=O)NCCSCc2ccc(Br)s2)cc1.
What is the InChIKey of N-[2-[(5-bromothiophen-2-yl)methylsulfanyl]ethyl]-2-(4-methoxyphenyl)acetamide?
The InChIKey is ZUHZILYMFOAKIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrNO2S2/c1-20-13-4-2-12(3-5-13)10-16(19)18-8-9-21-11-14-6-7-15(17)22-14/h2-7H,8-11H2,1H3,(H,18,19).
What are the key properties of N-[2-[(5-bromothiophen-2-yl)methylsulfanyl]ethyl]-2-(4-methoxyphenyl)acetamide?
N-[2-[(5-bromothiophen-2-yl)methylsulfanyl]ethyl]-2-(4-methoxyphenyl)acetamide has a molecular weight of 400.36 g/mol, XLogP of 4.11, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(5-bromothiophen-2-yl)methylsulfanyl]ethyl]-2-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 8757204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).