2-(2-aminobutylsulfanyl)-N-(2-methylsulfanylphenyl)acetamide

C13H20N2OS2 — CID 66228012

IUPAC2-(2-aminobutylsulfanyl)-N-(2-methylsulfanylphenyl)acetamide
SMILESCCC(N)CSCC(=O)Nc1ccccc1SC
InChIInChI=1S/C13H20N2OS2/c1-3-10(14)8-18-9-13(16)15-11-6-4-5-7-12(11)17-2/h4-7,10H,3,8-9,14H2,1-2H3,(H,15,16)
InChIKeyDNIZVECFXCJMAU-UHFFFAOYSA-N
MW284.45 g/mol
LogP2.82
Rot. Bonds7

About 2-(2-aminobutylsulfanyl)-N-(2-methylsulfanylphenyl)acetamide

2-(2-aminobutylsulfanyl)-N-(2-methylsulfanylphenyl)acetamide (PubChem CID 66228012) has the molecular formula C13H20N2OS2 and a molecular weight of 284.45 g/mol. Its IUPAC name is 2-(2-aminobutylsulfanyl)-N-(2-methylsulfanylphenyl)acetamide.

Molecular Properties

Compound Name2-(2-aminobutylsulfanyl)-N-(2-methylsulfanylphenyl)acetamide
PubChem CID66228012
Molecular FormulaC13H20N2OS2
Molecular Weight284.45 g/mol
Exact Mass284.10
IUPAC Name2-(2-aminobutylsulfanyl)-N-(2-methylsulfanylphenyl)acetamide
SMILESCCC(N)CSCC(=O)Nc1ccccc1SC
InChIInChI=1S/C13H20N2OS2/c1-3-10(14)8-18-9-13(16)15-11-6-4-5-7-12(11)17-2/h4-7,10H,3,8-9,14H2,1-2H3,(H,15,16)
InChIKeyDNIZVECFXCJMAU-UHFFFAOYSA-N
XLogP2.82
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.45
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-3-[2-(2-methylsulfanylanilino)-2-oxoethyl]sulfanylpropanoic acid
CID 43385271
2-(2-aminobutylsulfanyl)-N-pyrimidin-2-ylacetamide
CID 66228013
(2R)-2-amino-3-methyl-3-[2-(2-methylsulfanylanilino)-2-oxoethyl]sulfanylbutanoic acid
CID 106442887
2-(2-aminobutylsulfanyl)-N-(3-iodophenyl)acetamide
CID 66229191
2-(2-aminobutylsulfanyl)-N-(5-chloro-2-methoxyphenyl)acetamide
CID 66229626
2-(2-aminobutylsulfanyl)-N-(3-methoxyphenyl)acetamide
CID 66231284
2-(2-aminobutylsulfanyl)-N-methyl-N-phenylacetamide
CID 66231060
2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(2-methylsulfanylphenyl)acetamide
CID 4805262
ethyl 4-[(2-methylsulfanylphenyl)carbamoyl]piperazine-1-carboxylate
CID 3351841
2-amino-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]acetamide
CID 60848322
2-(2-aminobutylsulfanyl)-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 66229426
2-(2-amino-5-methylphenyl)sulfanyl-N-(2-methylsulfanylphenyl)acetamide
CID 79126919

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminobutylsulfanyl)-N-(2-methylsulfanylphenyl)acetamide?
The IUPAC name of 2-(2-aminobutylsulfanyl)-N-(2-methylsulfanylphenyl)acetamide (CID 66228012) is 2-(2-aminobutylsulfanyl)-N-(2-methylsulfanylphenyl)acetamide.
What is the SMILES notation for 2-(2-aminobutylsulfanyl)-N-(2-methylsulfanylphenyl)acetamide?
The canonical SMILES for 2-(2-aminobutylsulfanyl)-N-(2-methylsulfanylphenyl)acetamide is CCC(N)CSCC(=O)Nc1ccccc1SC.
What is the InChIKey of 2-(2-aminobutylsulfanyl)-N-(2-methylsulfanylphenyl)acetamide?
The InChIKey is DNIZVECFXCJMAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2OS2/c1-3-10(14)8-18-9-13(16)15-11-6-4-5-7-12(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-(2-methylsulfanylphenyl)acetamide?
2-(2-aminobutylsulfanyl)-N-(2-methylsulfanylphenyl)acetamide has a molecular weight of 284.45 g/mol, XLogP of 2.82, 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-(2-methylsulfanylphenyl)acetamide is sourced from PubChem (CID 66228012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).