2-(2-aminobutylsulfanyl)-N-(3-methoxyphenyl)acetamide

C13H20N2O2S — CID 66231284

IUPAC2-(2-aminobutylsulfanyl)-N-(3-methoxyphenyl)acetamide
SMILESCCC(N)CSCC(=O)Nc1cccc(OC)c1
InChIInChI=1S/C13H20N2O2S/c1-3-10(14)8-18-9-13(16)15-11-5-4-6-12(7-11)17-2/h4-7,10H,3,8-9,14H2,1-2H3,(H,15,16)
InChIKeyQOIGHCWKRCAKFF-UHFFFAOYSA-N
MW268.38 g/mol
LogP2.10
Rot. Bonds7

About 2-(2-aminobutylsulfanyl)-N-(3-methoxyphenyl)acetamide

2-(2-aminobutylsulfanyl)-N-(3-methoxyphenyl)acetamide (PubChem CID 66231284) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is 2-(2-aminobutylsulfanyl)-N-(3-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(2-aminobutylsulfanyl)-N-(3-methoxyphenyl)acetamide
PubChem CID66231284
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC Name2-(2-aminobutylsulfanyl)-N-(3-methoxyphenyl)acetamide
SMILESCCC(N)CSCC(=O)Nc1cccc(OC)c1
InChIInChI=1S/C13H20N2O2S/c1-3-10(14)8-18-9-13(16)15-11-5-4-6-12(7-11)17-2/h4-7,10H,3,8-9,14H2,1-2H3,(H,15,16)
InChIKeyQOIGHCWKRCAKFF-UHFFFAOYSA-N
XLogP2.10
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-aminopentyl)-3-(3-methoxyphenyl)urea
CID 113498087
2-[2-(3-methoxyanilino)-2-oxoethyl]sulfanylpropanoic acid
CID 24706009
2-[(2-chlorophenyl)methylsulfanyl]-N-(3-methoxyphenyl)acetamide
CID 879766
2-(butan-2-ylamino)-N-(3-methoxyphenyl)acetamide
CID 43179380
2-(2-bromophenyl)sulfanyl-N-(3-methoxyphenyl)acetamide
CID 92513721
2-[(2-amino-3-methoxypropyl)-methylamino]-N-(3-methoxyphenyl)acetamide
CID 63761521
2-(hydroxyamino)-N-(3-methoxyphenyl)acetamide
CID 12611733
N-(3-methoxyphenyl)-2-(2,4,6-trimethylphenyl)sulfanylacetamide
CID 7799539
N-(3-methoxyphenyl)-2-(3-methylpentan-2-ylamino)acetamide
CID 61463325
2-(2-acetamidophenyl)sulfanyl-N-(3-methoxyphenyl)acetamide
CID 126181557
N-ethyl-2-[[2-(3-methoxyanilino)-2-oxoethyl]amino]acetamide
CID 43401692
2-(3-ethoxyphenoxy)-N-(3-methoxyphenyl)acetamide
CID 112977809

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminobutylsulfanyl)-N-(3-methoxyphenyl)acetamide?
The IUPAC name of 2-(2-aminobutylsulfanyl)-N-(3-methoxyphenyl)acetamide (CID 66231284) is 2-(2-aminobutylsulfanyl)-N-(3-methoxyphenyl)acetamide.
What is the SMILES notation for 2-(2-aminobutylsulfanyl)-N-(3-methoxyphenyl)acetamide?
The canonical SMILES for 2-(2-aminobutylsulfanyl)-N-(3-methoxyphenyl)acetamide is CCC(N)CSCC(=O)Nc1cccc(OC)c1.
What is the InChIKey of 2-(2-aminobutylsulfanyl)-N-(3-methoxyphenyl)acetamide?
The InChIKey is QOIGHCWKRCAKFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-3-10(14)8-18-9-13(16)15-11-5-4-6-12(7-11)17-2/h4-7,10H,3,8-9,14H2,1-2H3,(H,15,16).
What are the key properties of 2-(2-aminobutylsulfanyl)-N-(3-methoxyphenyl)acetamide?
2-(2-aminobutylsulfanyl)-N-(3-methoxyphenyl)acetamide has a molecular weight of 268.38 g/mol, XLogP of 2.10, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminobutylsulfanyl)-N-(3-methoxyphenyl)acetamide is sourced from PubChem (CID 66231284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).