2-(3-aminopropylsulfanyl)-N-(5-chloro-2-methoxyphenyl)acetamide

C12H17ClN2O2S — CID 66217565

IUPAC2-(3-aminopropylsulfanyl)-N-(5-chloro-2-methoxyphenyl)acetamide
SMILESCOc1ccc(Cl)cc1NC(=O)CSCCCN
InChIInChI=1S/C12H17ClN2O2S/c1-17-11-4-3-9(13)7-10(11)15-12(16)8-18-6-2-5-14/h3-4,7H,2,5-6,8,14H2,1H3,(H,15,16)
InChIKeyMEUZFIBVPQTTIS-UHFFFAOYSA-N
MW288.80 g/mol
LogP2.37
Rot. Bonds7

About 2-(3-aminopropylsulfanyl)-N-(5-chloro-2-methoxyphenyl)acetamide

2-(3-aminopropylsulfanyl)-N-(5-chloro-2-methoxyphenyl)acetamide (PubChem CID 66217565) has the molecular formula C12H17ClN2O2S and a molecular weight of 288.80 g/mol. Its IUPAC name is 2-(3-aminopropylsulfanyl)-N-(5-chloro-2-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(3-aminopropylsulfanyl)-N-(5-chloro-2-methoxyphenyl)acetamide
PubChem CID66217565
Molecular FormulaC12H17ClN2O2S
Molecular Weight288.80 g/mol
Exact Mass288.07
IUPAC Name2-(3-aminopropylsulfanyl)-N-(5-chloro-2-methoxyphenyl)acetamide
SMILESCOc1ccc(Cl)cc1NC(=O)CSCCCN
InChIInChI=1S/C12H17ClN2O2S/c1-17-11-4-3-9(13)7-10(11)15-12(16)8-18-6-2-5-14/h3-4,7H,2,5-6,8,14H2,1H3,(H,15,16)
InChIKeyMEUZFIBVPQTTIS-UHFFFAOYSA-N
XLogP2.37
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.80
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(5-chloro-2-methoxyphenyl)-2-[2-(diethylamino)-2-oxoethyl]sulfanylacetamide
CID 112762838
2-(2-aminobutylsulfanyl)-N-(5-chloro-2-methoxyphenyl)acetamide
CID 66229626
N-(5-chloro-2-methoxyphenyl)-2-[2-(4-propoxyphenoxy)ethylsulfanyl]acetamide
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N-(5-chloro-2-methoxyphenyl)-2-(2,3-dihydroxypropylsulfanyl)acetamide
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CID 64914076
2-chloro-N-(5-chloro-2-methoxyphenyl)acetamide
CID 776663
N-(5-chloro-2-methoxyphenyl)-2-(3-hydroxybutan-2-ylsulfanyl)acetamide
CID 103705878
N'-(5-chloro-2-methoxyphenyl)butanediamide
CID 94271903
N-(5-chloro-2-methoxyphenyl)-2-[(E)-3-phenylprop-2-enyl]sulfanylacetamide
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2-[(4-bromo-2-fluorophenyl)methylsulfanyl]-N-(5-chloro-2-methoxyphenyl)acetamide
CID 46799772
N-(5-chloro-2-methoxyphenyl)-2-(3-phenylprop-2-enylsulfanyl)acetamide
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N-(5-chloro-2-methoxyphenyl)-3-(4-chlorophenyl)sulfanylpropanamide
CID 1337784

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminopropylsulfanyl)-N-(5-chloro-2-methoxyphenyl)acetamide?
The IUPAC name of 2-(3-aminopropylsulfanyl)-N-(5-chloro-2-methoxyphenyl)acetamide (CID 66217565) is 2-(3-aminopropylsulfanyl)-N-(5-chloro-2-methoxyphenyl)acetamide.
What is the SMILES notation for 2-(3-aminopropylsulfanyl)-N-(5-chloro-2-methoxyphenyl)acetamide?
The canonical SMILES for 2-(3-aminopropylsulfanyl)-N-(5-chloro-2-methoxyphenyl)acetamide is COc1ccc(Cl)cc1NC(=O)CSCCCN.
What is the InChIKey of 2-(3-aminopropylsulfanyl)-N-(5-chloro-2-methoxyphenyl)acetamide?
The InChIKey is MEUZFIBVPQTTIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O2S/c1-17-11-4-3-9(13)7-10(11)15-12(16)8-18-6-2-5-14/h3-4,7H,2,5-6,8,14H2,1H3,(H,15,16).
What are the key properties of 2-(3-aminopropylsulfanyl)-N-(5-chloro-2-methoxyphenyl)acetamide?
2-(3-aminopropylsulfanyl)-N-(5-chloro-2-methoxyphenyl)acetamide has a molecular weight of 288.80 g/mol, XLogP of 2.37, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminopropylsulfanyl)-N-(5-chloro-2-methoxyphenyl)acetamide is sourced from PubChem (CID 66217565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).