2-[(3-bromophenyl)methylsulfanyl]-N-[2-(2-methoxyphenyl)ethyl]acetamide

C18H20BrNO2S — CID 34504518

IUPAC2-[(3-bromophenyl)methylsulfanyl]-N-[2-(2-methoxyphenyl)ethyl]acetamide
SMILESCOc1ccccc1CCNC(=O)CSCc1cccc(Br)c1
InChIInChI=1S/C18H20BrNO2S/c1-22-17-8-3-2-6-15(17)9-10-20-18(21)13-23-12-14-5-4-7-16(19)11-14/h2-8,11H,9-10,12-13H2,1H3,(H,20,21)
InChIKeyGHXVXHMPJWYOLQ-UHFFFAOYSA-N
MW394.33 g/mol
LogP4.05
Rot. Bonds8

About 2-[(3-bromophenyl)methylsulfanyl]-N-[2-(2-methoxyphenyl)ethyl]acetamide

2-[(3-bromophenyl)methylsulfanyl]-N-[2-(2-methoxyphenyl)ethyl]acetamide (PubChem CID 34504518) has the molecular formula C18H20BrNO2S and a molecular weight of 394.33 g/mol. Its IUPAC name is 2-[(3-bromophenyl)methylsulfanyl]-N-[2-(2-methoxyphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[(3-bromophenyl)methylsulfanyl]-N-[2-(2-methoxyphenyl)ethyl]acetamide
PubChem CID34504518
Molecular FormulaC18H20BrNO2S
Molecular Weight394.33 g/mol
Exact Mass393.04
IUPAC Name2-[(3-bromophenyl)methylsulfanyl]-N-[2-(2-methoxyphenyl)ethyl]acetamide
SMILESCOc1ccccc1CCNC(=O)CSCc1cccc(Br)c1
InChIInChI=1S/C18H20BrNO2S/c1-22-17-8-3-2-6-15(17)9-10-20-18(21)13-23-12-14-5-4-7-16(19)11-14/h2-8,11H,9-10,12-13H2,1H3,(H,20,21)
InChIKeyGHXVXHMPJWYOLQ-UHFFFAOYSA-N
XLogP4.05
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.33
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3,4-dichlorophenyl)methylsulfanyl]-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 34501172
2-[(3-bromophenyl)methylsulfanyl]-N-(2-phenylethyl)acetamide
CID 30560974
N-[2-(2-methoxyphenyl)ethyl]-2-methylsulfanylacetamide
CID 112766496
2-(2,6-dichlorophenyl)sulfanyl-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 112766497
2-(3-aminophenyl)-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 28711954
N-[2-(2-methoxyphenyl)ethyl]-2-phenylsulfanylacetamide
CID 26777809
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 30826058
2-(3,4-dimethylphenyl)-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 8911158
2-(6-bromonaphthalen-2-yl)oxy-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 9231224
2-[2-(2-fluoroanilino)-2-oxoethyl]sulfanyl-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 4788891
N-[(2-methoxyphenyl)methyl]-2-[(4-methylphenyl)methylsulfanyl]acetamide
CID 775085
2,4-dibromo-N-[2-(2-methoxyphenyl)ethyl]benzamide
CID 103882028

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromophenyl)methylsulfanyl]-N-[2-(2-methoxyphenyl)ethyl]acetamide?
The IUPAC name of 2-[(3-bromophenyl)methylsulfanyl]-N-[2-(2-methoxyphenyl)ethyl]acetamide (CID 34504518) is 2-[(3-bromophenyl)methylsulfanyl]-N-[2-(2-methoxyphenyl)ethyl]acetamide.
What is the SMILES notation for 2-[(3-bromophenyl)methylsulfanyl]-N-[2-(2-methoxyphenyl)ethyl]acetamide?
The canonical SMILES for 2-[(3-bromophenyl)methylsulfanyl]-N-[2-(2-methoxyphenyl)ethyl]acetamide is COc1ccccc1CCNC(=O)CSCc1cccc(Br)c1.
What is the InChIKey of 2-[(3-bromophenyl)methylsulfanyl]-N-[2-(2-methoxyphenyl)ethyl]acetamide?
The InChIKey is GHXVXHMPJWYOLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrNO2S/c1-22-17-8-3-2-6-15(17)9-10-20-18(21)13-23-12-14-5-4-7-16(19)11-14/h2-8,11H,9-10,12-13H2,1H3,(H,20,21).
What are the key properties of 2-[(3-bromophenyl)methylsulfanyl]-N-[2-(2-methoxyphenyl)ethyl]acetamide?
2-[(3-bromophenyl)methylsulfanyl]-N-[2-(2-methoxyphenyl)ethyl]acetamide has a molecular weight of 394.33 g/mol, XLogP of 4.05, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromophenyl)methylsulfanyl]-N-[2-(2-methoxyphenyl)ethyl]acetamide is sourced from PubChem (CID 34504518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).