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

C16H26N2OS — CID 82180180

IUPAC2-(4-aminobutylsulfanyl)-N-(4-butylphenyl)acetamide
SMILESCCCCc1ccc(NC(=O)CSCCCCN)cc1
InChIInChI=1S/C16H26N2OS/c1-2-3-6-14-7-9-15(10-8-14)18-16(19)13-20-12-5-4-11-17/h7-10H,2-6,11-13,17H2,1H3,(H,18,19)
InChIKeyNCCZNMQDTJIYDI-UHFFFAOYSA-N
MW294.46 g/mol
LogP3.44
Rot. Bonds10

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

2-(4-aminobutylsulfanyl)-N-(4-butylphenyl)acetamide (PubChem CID 82180180) has the molecular formula C16H26N2OS and a molecular weight of 294.46 g/mol. Its IUPAC name is 2-(4-aminobutylsulfanyl)-N-(4-butylphenyl)acetamide.

Molecular Properties

Compound Name2-(4-aminobutylsulfanyl)-N-(4-butylphenyl)acetamide
PubChem CID82180180
Molecular FormulaC16H26N2OS
Molecular Weight294.46 g/mol
Exact Mass294.18
IUPAC Name2-(4-aminobutylsulfanyl)-N-(4-butylphenyl)acetamide
SMILESCCCCc1ccc(NC(=O)CSCCCCN)cc1
InChIInChI=1S/C16H26N2OS/c1-2-3-6-14-7-9-15(10-8-14)18-16(19)13-20-12-5-4-11-17/h7-10H,2-6,11-13,17H2,1H3,(H,18,19)
InChIKeyNCCZNMQDTJIYDI-UHFFFAOYSA-N
XLogP3.44
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.46
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(4-butylanilino)-2-oxoethyl]sulfanylacetamide
CID 2228588
2-(4-aminobutylsulfanyl)-N-(4-methoxyphenyl)acetamide
CID 82180185
6-amino-N-(4-pentylphenyl)hexanamide
CID 61248961
2-dodecylsulfanyl-N-[4-(hydroperoxymethyl)phenyl]acetamide
CID 54040343
4-amino-N-(4-pentylphenyl)butanamide
CID 61248586
N-(4-butylphenyl)-2-[(2-methylphenyl)methylsulfanyl]acetamide
CID 2206380
2-(3-aminobutylsulfanyl)-N-(4-propylphenyl)acetamide
CID 66233973
4-[[2-(3-aminopropylsulfanyl)acetyl]amino]benzoic acid
CID 82180051
2-[4-[4-[2-(4-butylanilino)-2-oxoethyl]sulfanylphenyl]sulfanylphenyl]sulfanyl-N-(4-butylphenyl)acetamide
CID 3490839
2-(2-aminophenyl)sulfanyl-N-(4-butylphenyl)acetamide
CID 3604206
N-(4-butylphenyl)-2-[(2-chloro-6-fluorophenyl)methylsulfanyl]acetamide
CID 4240546
N,N'-bis(4-butylphenyl)oxamide
CID 3438016

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminobutylsulfanyl)-N-(4-butylphenyl)acetamide?
The IUPAC name of 2-(4-aminobutylsulfanyl)-N-(4-butylphenyl)acetamide (CID 82180180) is 2-(4-aminobutylsulfanyl)-N-(4-butylphenyl)acetamide.
What is the SMILES notation for 2-(4-aminobutylsulfanyl)-N-(4-butylphenyl)acetamide?
The canonical SMILES for 2-(4-aminobutylsulfanyl)-N-(4-butylphenyl)acetamide is CCCCc1ccc(NC(=O)CSCCCCN)cc1.
What is the InChIKey of 2-(4-aminobutylsulfanyl)-N-(4-butylphenyl)acetamide?
The InChIKey is NCCZNMQDTJIYDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2OS/c1-2-3-6-14-7-9-15(10-8-14)18-16(19)13-20-12-5-4-11-17/h7-10H,2-6,11-13,17H2,1H3,(H,18,19).
What are the key properties of 2-(4-aminobutylsulfanyl)-N-(4-butylphenyl)acetamide?
2-(4-aminobutylsulfanyl)-N-(4-butylphenyl)acetamide has a molecular weight of 294.46 g/mol, XLogP of 3.44, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminobutylsulfanyl)-N-(4-butylphenyl)acetamide is sourced from PubChem (CID 82180180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).