N-[4-[5-(propylamino)hexylsulfanyl]phenyl]acetamide

C17H28N2OS — CID 64649556

IUPACN-[4-[5-(propylamino)hexylsulfanyl]phenyl]acetamide
SMILESCCCNC(C)CCCCSc1ccc(NC(C)=O)cc1
InChIInChI=1S/C17H28N2OS/c1-4-12-18-14(2)7-5-6-13-21-17-10-8-16(9-11-17)19-15(3)20/h8-11,14,18H,4-7,12-13H2,1-3H3,(H,19,20)
InChIKeyBVXMOXLIUANHRK-UHFFFAOYSA-N
MW308.49 g/mol
LogP4.30
Rot. Bonds10

About N-[4-[5-(propylamino)hexylsulfanyl]phenyl]acetamide

N-[4-[5-(propylamino)hexylsulfanyl]phenyl]acetamide (PubChem CID 64649556) has the molecular formula C17H28N2OS and a molecular weight of 308.49 g/mol. Its IUPAC name is N-[4-[5-(propylamino)hexylsulfanyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[5-(propylamino)hexylsulfanyl]phenyl]acetamide
PubChem CID64649556
Molecular FormulaC17H28N2OS
Molecular Weight308.49 g/mol
Exact Mass308.19
IUPAC NameN-[4-[5-(propylamino)hexylsulfanyl]phenyl]acetamide
SMILESCCCNC(C)CCCCSc1ccc(NC(C)=O)cc1
InChIInChI=1S/C17H28N2OS/c1-4-12-18-14(2)7-5-6-13-21-17-10-8-16(9-11-17)19-15(3)20/h8-11,14,18H,4-7,12-13H2,1-3H3,(H,19,20)
InChIKeyBVXMOXLIUANHRK-UHFFFAOYSA-N
XLogP4.30
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.49
LogP ≤ 54.30
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

5-(4-fluorophenyl)sulfanyl-N-propylpentan-2-amine
CID 64619560
5-(4-nitrophenyl)sulfanyl-N-propylpentan-2-amine
CID 64611747
N-[4-[(heptan-2-ylamino)methyl]phenyl]acetamide
CID 43399864
N-[4-(2-hydroxyethylsulfanyl)phenyl]acetamide
CID 611088
2-(4-acetamidophenyl)sulfanyl-N-[(2S)-butan-2-yl]acetamide
CID 2124176
N-[4-(2-sulfanylethylsulfanyl)phenyl]acetamide
CID 117033736
2-(4-acetamidophenyl)sulfanyl-N-[3-(4-fluorophenyl)sulfanylpropyl]propanamide
CID 55834214
acetyl 6-(4-acetamidophenyl)sulfanyl-2-(4-nonylphenyl)hexaneperoxoate
CID 88726301
N-propyl-6-pyridin-2-ylsulfanylhexan-2-amine
CID 64649505
2-[5-(propylamino)hexylsulfanyl]-1H-pyrimidin-6-one
CID 64611357
2-(4-acetamidophenyl)sulfanylethyl acetate
CID 71349184
N-[4-(pentan-2-ylamino)phenyl]acetamide
CID 43190900

Frequently Asked Questions

What is the IUPAC name of N-[4-[5-(propylamino)hexylsulfanyl]phenyl]acetamide?
The IUPAC name of N-[4-[5-(propylamino)hexylsulfanyl]phenyl]acetamide (CID 64649556) is N-[4-[5-(propylamino)hexylsulfanyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[5-(propylamino)hexylsulfanyl]phenyl]acetamide?
The canonical SMILES for N-[4-[5-(propylamino)hexylsulfanyl]phenyl]acetamide is CCCNC(C)CCCCSc1ccc(NC(C)=O)cc1.
What is the InChIKey of N-[4-[5-(propylamino)hexylsulfanyl]phenyl]acetamide?
The InChIKey is BVXMOXLIUANHRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2OS/c1-4-12-18-14(2)7-5-6-13-21-17-10-8-16(9-11-17)19-15(3)20/h8-11,14,18H,4-7,12-13H2,1-3H3,(H,19,20).
What are the key properties of N-[4-[5-(propylamino)hexylsulfanyl]phenyl]acetamide?
N-[4-[5-(propylamino)hexylsulfanyl]phenyl]acetamide has a molecular weight of 308.49 g/mol, XLogP of 4.30, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5-(propylamino)hexylsulfanyl]phenyl]acetamide is sourced from PubChem (CID 64649556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).