N-hexyl-N-(2-propylsulfanylphenyl)acetamide

C17H27NOS — CID 122211661

IUPACN-hexyl-N-(2-propylsulfanylphenyl)acetamide
SMILESCCCCCCN(C(C)=O)c1ccccc1SCCC
InChIInChI=1S/C17H27NOS/c1-4-6-7-10-13-18(15(3)19)16-11-8-9-12-17(16)20-14-5-2/h8-9,11-12H,4-7,10,13-14H2,1-3H3
InChIKeyBPOQCFNISDLCKQ-UHFFFAOYSA-N
MW293.48 g/mol
LogP5.12
Rot. Bonds9

About N-hexyl-N-(2-propylsulfanylphenyl)acetamide

N-hexyl-N-(2-propylsulfanylphenyl)acetamide (PubChem CID 122211661) has the molecular formula C17H27NOS and a molecular weight of 293.48 g/mol. Its IUPAC name is N-hexyl-N-(2-propylsulfanylphenyl)acetamide.

Molecular Properties

Compound NameN-hexyl-N-(2-propylsulfanylphenyl)acetamide
PubChem CID122211661
Molecular FormulaC17H27NOS
Molecular Weight293.48 g/mol
Exact Mass293.18
IUPAC NameN-hexyl-N-(2-propylsulfanylphenyl)acetamide
SMILESCCCCCCN(C(C)=O)c1ccccc1SCCC
InChIInChI=1S/C17H27NOS/c1-4-6-7-10-13-18(15(3)19)16-11-8-9-12-17(16)20-14-5-2/h8-9,11-12H,4-7,10,13-14H2,1-3H3
InChIKeyBPOQCFNISDLCKQ-UHFFFAOYSA-N
XLogP5.12
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.48
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-hexyl-N-(2-propylsulfanylphenyl)acetamide?
The IUPAC name of N-hexyl-N-(2-propylsulfanylphenyl)acetamide (CID 122211661) is N-hexyl-N-(2-propylsulfanylphenyl)acetamide.
What is the SMILES notation for N-hexyl-N-(2-propylsulfanylphenyl)acetamide?
The canonical SMILES for N-hexyl-N-(2-propylsulfanylphenyl)acetamide is CCCCCCN(C(C)=O)c1ccccc1SCCC.
What is the InChIKey of N-hexyl-N-(2-propylsulfanylphenyl)acetamide?
The InChIKey is BPOQCFNISDLCKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NOS/c1-4-6-7-10-13-18(15(3)19)16-11-8-9-12-17(16)20-14-5-2/h8-9,11-12H,4-7,10,13-14H2,1-3H3.
What are the key properties of N-hexyl-N-(2-propylsulfanylphenyl)acetamide?
N-hexyl-N-(2-propylsulfanylphenyl)acetamide has a molecular weight of 293.48 g/mol, XLogP of 5.12, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexyl-N-(2-propylsulfanylphenyl)acetamide is sourced from PubChem (CID 122211661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).