4-butoxy-N-[2-oxo-2-(2-phenylsulfanylethylamino)ethyl]benzamide

C21H26N2O3S — CID 27887851

IUPAC4-butoxy-N-[2-oxo-2-(2-phenylsulfanylethylamino)ethyl]benzamide
SMILESCCCCOc1ccc(C(=O)NCC(=O)NCCSc2ccccc2)cc1
InChIInChI=1S/C21H26N2O3S/c1-2-3-14-26-18-11-9-17(10-12-18)21(25)23-16-20(24)22-13-15-27-19-7-5-4-6-8-19/h4-12H,2-3,13-16H2,1H3,(H,22,24)(H,23,25)
InChIKeyWRHPZWXDVFTFRU-UHFFFAOYSA-N
MW386.52 g/mol
LogP3.50
Rot. Bonds11

About 4-butoxy-N-[2-oxo-2-(2-phenylsulfanylethylamino)ethyl]benzamide

4-butoxy-N-[2-oxo-2-(2-phenylsulfanylethylamino)ethyl]benzamide (PubChem CID 27887851) has the molecular formula C21H26N2O3S and a molecular weight of 386.52 g/mol. Its IUPAC name is 4-butoxy-N-[2-oxo-2-(2-phenylsulfanylethylamino)ethyl]benzamide.

Molecular Properties

Compound Name4-butoxy-N-[2-oxo-2-(2-phenylsulfanylethylamino)ethyl]benzamide
PubChem CID27887851
Molecular FormulaC21H26N2O3S
Molecular Weight386.52 g/mol
Exact Mass386.17
IUPAC Name4-butoxy-N-[2-oxo-2-(2-phenylsulfanylethylamino)ethyl]benzamide
SMILESCCCCOc1ccc(C(=O)NCC(=O)NCCSc2ccccc2)cc1
InChIInChI=1S/C21H26N2O3S/c1-2-3-14-26-18-11-9-17(10-12-18)21(25)23-16-20(24)22-13-15-27-19-7-5-4-6-8-19/h4-12H,2-3,13-16H2,1H3,(H,22,24)(H,23,25)
InChIKeyWRHPZWXDVFTFRU-UHFFFAOYSA-N
XLogP3.50
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.52
LogP ≤ 53.50
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

4-butoxy-N-[2-oxo-2-(2-phenylethylamino)ethyl]benzamide
CID 29263738
4-ethoxy-N-(2-phenylsulfanylethyl)benzamide
CID 27887685
N-[2-(butylamino)-2-oxoethyl]-4-ethoxybenzamide
CID 34231237
N-[2-[2-(4-hexoxybenzoyl)hydrazinyl]-2-oxoethyl]benzamide
CID 27672476
N-(2-ethylhexyl)-4-(2-phenylsulfanylethoxy)benzamide
CID 133239632
4-butoxy-N-[2-(2-methylanilino)-2-oxoethyl]benzamide
CID 9342156
4-butoxy-N-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]benzamide
CID 7973208
benzhydryl 2-[(4-butoxybenzoyl)amino]acetate
CID 7905876
4-butoxy-N-[2-oxo-2-(4-phenylbutan-2-ylamino)ethyl]benzamide
CID 24677699
N-methyl-4-(2-phenylsulfanylethoxy)benzamide
CID 53283867
N-[2-[2-(4-chlorophenoxy)ethylamino]-2-oxoethyl]benzamide
CID 27861644
N-[3-(4-methoxyphenyl)propyl]-4-(2-phenylsulfanylethoxy)benzamide
CID 43909022

Frequently Asked Questions

What is the IUPAC name of 4-butoxy-N-[2-oxo-2-(2-phenylsulfanylethylamino)ethyl]benzamide?
The IUPAC name of 4-butoxy-N-[2-oxo-2-(2-phenylsulfanylethylamino)ethyl]benzamide (CID 27887851) is 4-butoxy-N-[2-oxo-2-(2-phenylsulfanylethylamino)ethyl]benzamide.
What is the SMILES notation for 4-butoxy-N-[2-oxo-2-(2-phenylsulfanylethylamino)ethyl]benzamide?
The canonical SMILES for 4-butoxy-N-[2-oxo-2-(2-phenylsulfanylethylamino)ethyl]benzamide is CCCCOc1ccc(C(=O)NCC(=O)NCCSc2ccccc2)cc1.
What is the InChIKey of 4-butoxy-N-[2-oxo-2-(2-phenylsulfanylethylamino)ethyl]benzamide?
The InChIKey is WRHPZWXDVFTFRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3S/c1-2-3-14-26-18-11-9-17(10-12-18)21(25)23-16-20(24)22-13-15-27-19-7-5-4-6-8-19/h4-12H,2-3,13-16H2,1H3,(H,22,24)(H,23,25).
What are the key properties of 4-butoxy-N-[2-oxo-2-(2-phenylsulfanylethylamino)ethyl]benzamide?
4-butoxy-N-[2-oxo-2-(2-phenylsulfanylethylamino)ethyl]benzamide has a molecular weight of 386.52 g/mol, XLogP of 3.50, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxy-N-[2-oxo-2-(2-phenylsulfanylethylamino)ethyl]benzamide is sourced from PubChem (CID 27887851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).