2-(4-aminobutylsulfanyl)-N-(4-methoxyphenyl)acetamide

C13H20N2O2S — CID 82180185

IUPAC2-(4-aminobutylsulfanyl)-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CSCCCCN)cc1
InChIInChI=1S/C13H20N2O2S/c1-17-12-6-4-11(5-7-12)15-13(16)10-18-9-3-2-8-14/h4-7H,2-3,8-10,14H2,1H3,(H,15,16)
InChIKeyCWSWZDYXAGOARN-UHFFFAOYSA-N
MW268.38 g/mol
LogP2.11
Rot. Bonds8

About 2-(4-aminobutylsulfanyl)-N-(4-methoxyphenyl)acetamide

2-(4-aminobutylsulfanyl)-N-(4-methoxyphenyl)acetamide (PubChem CID 82180185) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is 2-(4-aminobutylsulfanyl)-N-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(4-aminobutylsulfanyl)-N-(4-methoxyphenyl)acetamide
PubChem CID82180185
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC Name2-(4-aminobutylsulfanyl)-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CSCCCCN)cc1
InChIInChI=1S/C13H20N2O2S/c1-17-12-6-4-11(5-7-12)15-13(16)10-18-9-3-2-8-14/h4-7H,2-3,8-10,14H2,1H3,(H,15,16)
InChIKeyCWSWZDYXAGOARN-UHFFFAOYSA-N
XLogP2.11
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 52.11
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

2-(3-amino-2-methylpropyl)sulfanyl-N-(4-methoxyphenyl)acetamide
CID 66225221
2-(4-aminobutylsulfanyl)-N-(4-butylphenyl)acetamide
CID 82180180
2-[2-(4-methoxyanilino)-2-oxoethyl]sulfanylacetic acid
CID 787659
4-[[2-(3-aminopropylsulfanyl)acetyl]amino]benzoic acid
CID 82180051
N-(4-methoxyphenyl)-2-[2-(4-methylsulfanylanilino)-2-oxoethyl]sulfanylacetamide
CID 27365283
2-[2-(4-methoxyanilino)-2-oxoethyl]sulfanyl-N-(4-propan-2-ylphenyl)acetamide
CID 7746783
2-[3-(4-methylphenoxy)propylsulfanyl]-N-(4-methylphenyl)acetamide
CID 7731597
2-(3-aminopropylsulfonyl)-N-(4-methoxyphenyl)acetamide
CID 81187922
2-[2-(4-methoxyphenoxy)ethylsulfanyl]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 31089360
2-[(2-amino-1,3-thiazol-4-yl)methylsulfanyl]-N-(4-methoxyphenyl)acetamide
CID 42281861
2-[2-(2,4-difluoroanilino)-2-oxoethyl]sulfanyl-N-(4-methoxyphenyl)acetamide
CID 9164992
2-[2-(2-aminoethoxy)ethylsulfanyl]-N-(4-ethoxyphenyl)acetamide
CID 82181056

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminobutylsulfanyl)-N-(4-methoxyphenyl)acetamide?
The IUPAC name of 2-(4-aminobutylsulfanyl)-N-(4-methoxyphenyl)acetamide (CID 82180185) is 2-(4-aminobutylsulfanyl)-N-(4-methoxyphenyl)acetamide.
What is the SMILES notation for 2-(4-aminobutylsulfanyl)-N-(4-methoxyphenyl)acetamide?
The canonical SMILES for 2-(4-aminobutylsulfanyl)-N-(4-methoxyphenyl)acetamide is COc1ccc(NC(=O)CSCCCCN)cc1.
What is the InChIKey of 2-(4-aminobutylsulfanyl)-N-(4-methoxyphenyl)acetamide?
The InChIKey is CWSWZDYXAGOARN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-17-12-6-4-11(5-7-12)15-13(16)10-18-9-3-2-8-14/h4-7H,2-3,8-10,14H2,1H3,(H,15,16).
What are the key properties of 2-(4-aminobutylsulfanyl)-N-(4-methoxyphenyl)acetamide?
2-(4-aminobutylsulfanyl)-N-(4-methoxyphenyl)acetamide has a molecular weight of 268.38 g/mol, XLogP of 2.11, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminobutylsulfanyl)-N-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 82180185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).