2-(2-aminobutylsulfanyl)-N-(5-chloro-2-methoxyphenyl)acetamide

C13H19ClN2O2S — CID 66229626

IUPAC2-(2-aminobutylsulfanyl)-N-(5-chloro-2-methoxyphenyl)acetamide
SMILESCCC(N)CSCC(=O)Nc1cc(Cl)ccc1OC
InChIInChI=1S/C13H19ClN2O2S/c1-3-10(15)7-19-8-13(17)16-11-6-9(14)4-5-12(11)18-2/h4-6,10H,3,7-8,15H2,1-2H3,(H,16,17)
InChIKeyATPBEEWMYKEROO-UHFFFAOYSA-N
MW302.83 g/mol
LogP2.76
Rot. Bonds7

About 2-(2-aminobutylsulfanyl)-N-(5-chloro-2-methoxyphenyl)acetamide

2-(2-aminobutylsulfanyl)-N-(5-chloro-2-methoxyphenyl)acetamide (PubChem CID 66229626) has the molecular formula C13H19ClN2O2S and a molecular weight of 302.83 g/mol. Its IUPAC name is 2-(2-aminobutylsulfanyl)-N-(5-chloro-2-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(2-aminobutylsulfanyl)-N-(5-chloro-2-methoxyphenyl)acetamide
PubChem CID66229626
Molecular FormulaC13H19ClN2O2S
Molecular Weight302.83 g/mol
Exact Mass302.09
IUPAC Name2-(2-aminobutylsulfanyl)-N-(5-chloro-2-methoxyphenyl)acetamide
SMILESCCC(N)CSCC(=O)Nc1cc(Cl)ccc1OC
InChIInChI=1S/C13H19ClN2O2S/c1-3-10(15)7-19-8-13(17)16-11-6-9(14)4-5-12(11)18-2/h4-6,10H,3,7-8,15H2,1-2H3,(H,16,17)
InChIKeyATPBEEWMYKEROO-UHFFFAOYSA-N
XLogP2.76
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.83
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-chloro-2-methoxyphenyl)-2-(2,3-dihydroxypropylsulfanyl)acetamide
CID 79682314
3-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]sulfanyl-2-methylpropanoic acid
CID 64914076
2-(3-aminopropylsulfanyl)-N-(5-chloro-2-methoxyphenyl)acetamide
CID 66217565
N-(5-chloro-2-methoxyphenyl)-2-[2-(diethylamino)-2-oxoethyl]sulfanylacetamide
CID 112762838
2-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]sulfanylbutanoic acid
CID 105352698
N-(5-chloro-2-methoxyphenyl)-2-(3-hydroxybutan-2-ylsulfanyl)acetamide
CID 103705878
N-(5-chloro-2-methoxyphenyl)-2-[2-(4-propoxyphenoxy)ethylsulfanyl]acetamide
CID 31091838
2-chloro-N-(5-chloro-2-methoxyphenyl)acetamide
CID 776663
2-amino-3-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]sulfanylpropanoic acid
CID 43385235
N-(5-chloro-2-methoxyphenyl)-2-[(1S)-1-phenylethyl]sulfanylacetamide
CID 7509869
N'-(5-chloro-2-methoxyphenyl)butanediamide
CID 94271903
N-(5-chloro-2-methoxyphenyl)-2-[(E)-3-phenylprop-2-enyl]sulfanylacetamide
CID 6219239

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminobutylsulfanyl)-N-(5-chloro-2-methoxyphenyl)acetamide?
The IUPAC name of 2-(2-aminobutylsulfanyl)-N-(5-chloro-2-methoxyphenyl)acetamide (CID 66229626) is 2-(2-aminobutylsulfanyl)-N-(5-chloro-2-methoxyphenyl)acetamide.
What is the SMILES notation for 2-(2-aminobutylsulfanyl)-N-(5-chloro-2-methoxyphenyl)acetamide?
The canonical SMILES for 2-(2-aminobutylsulfanyl)-N-(5-chloro-2-methoxyphenyl)acetamide is CCC(N)CSCC(=O)Nc1cc(Cl)ccc1OC.
What is the InChIKey of 2-(2-aminobutylsulfanyl)-N-(5-chloro-2-methoxyphenyl)acetamide?
The InChIKey is ATPBEEWMYKEROO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O2S/c1-3-10(15)7-19-8-13(17)16-11-6-9(14)4-5-12(11)18-2/h4-6,10H,3,7-8,15H2,1-2H3,(H,16,17).
What are the key properties of 2-(2-aminobutylsulfanyl)-N-(5-chloro-2-methoxyphenyl)acetamide?
2-(2-aminobutylsulfanyl)-N-(5-chloro-2-methoxyphenyl)acetamide has a molecular weight of 302.83 g/mol, XLogP of 2.76, 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-(5-chloro-2-methoxyphenyl)acetamide is sourced from PubChem (CID 66229626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).