5-chloro-2-(ethylamino)-N-(5-methylsulfanylpentyl)benzamide

C15H23ClN2OS — CID 103529986

IUPAC5-chloro-2-(ethylamino)-N-(5-methylsulfanylpentyl)benzamide
SMILESCCNc1ccc(Cl)cc1C(=O)NCCCCCSC
InChIInChI=1S/C15H23ClN2OS/c1-3-17-14-8-7-12(16)11-13(14)15(19)18-9-5-4-6-10-20-2/h7-8,11,17H,3-6,9-10H2,1-2H3,(H,18,19)
InChIKeyQZNZSSCNQBRULK-UHFFFAOYSA-N
MW314.88 g/mol
LogP4.03
Rot. Bonds9

About 5-chloro-2-(ethylamino)-N-(5-methylsulfanylpentyl)benzamide

5-chloro-2-(ethylamino)-N-(5-methylsulfanylpentyl)benzamide (PubChem CID 103529986) has the molecular formula C15H23ClN2OS and a molecular weight of 314.88 g/mol. Its IUPAC name is 5-chloro-2-(ethylamino)-N-(5-methylsulfanylpentyl)benzamide.

Molecular Properties

Compound Name5-chloro-2-(ethylamino)-N-(5-methylsulfanylpentyl)benzamide
PubChem CID103529986
Molecular FormulaC15H23ClN2OS
Molecular Weight314.88 g/mol
Exact Mass314.12
IUPAC Name5-chloro-2-(ethylamino)-N-(5-methylsulfanylpentyl)benzamide
SMILESCCNc1ccc(Cl)cc1C(=O)NCCCCCSC
InChIInChI=1S/C15H23ClN2OS/c1-3-17-14-8-7-12(16)11-13(14)15(19)18-9-5-4-6-10-20-2/h7-8,11,17H,3-6,9-10H2,1-2H3,(H,18,19)
InChIKeyQZNZSSCNQBRULK-UHFFFAOYSA-N
XLogP4.03
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.88
LogP ≤ 54.03
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-chloro-2-(ethylamino)-N-(4-propan-2-yloxybutyl)benzamide
CID 103529977
5-chloro-N-(4-methylsulfanylbutyl)-2-nitrobenzamide
CID 115635860
5-chloro-2-(ethylamino)-N-[3-[ethylsulfonyl(methyl)amino]propyl]benzamide
CID 91652973
5-chloro-2-(ethylamino)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]benzamide
CID 64523585
5-methyl-N-(3-methylsulfanylpropyl)-2-(propylamino)benzamide
CID 63962306
N-butyl-5-chloro-2-hydrazinylbenzamide
CID 62238150
4-[2-[[5-chloro-2-(ethylamino)benzoyl]amino]ethyl]benzoic acid
CID 70530914
5-chloro-N-[2-[cyclopropyl(methyl)amino]ethyl]-2-(ethylamino)benzamide
CID 62978216
5-chloro-N-(cyclopropylmethyl)-2-(ethylamino)benzamide
CID 62173260
5-chloro-N-[2-(dimethylamino)-2-methylpropyl]-2-(ethylamino)benzamide
CID 62178349
2-fluoro-N-(5-methylsulfanylpentyl)-5-sulfanylbenzamide
CID 114129326
2-fluoro-N-(5-methylsulfanylpentyl)benzamide
CID 104920148

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(ethylamino)-N-(5-methylsulfanylpentyl)benzamide?
The IUPAC name of 5-chloro-2-(ethylamino)-N-(5-methylsulfanylpentyl)benzamide (CID 103529986) is 5-chloro-2-(ethylamino)-N-(5-methylsulfanylpentyl)benzamide.
What is the SMILES notation for 5-chloro-2-(ethylamino)-N-(5-methylsulfanylpentyl)benzamide?
The canonical SMILES for 5-chloro-2-(ethylamino)-N-(5-methylsulfanylpentyl)benzamide is CCNc1ccc(Cl)cc1C(=O)NCCCCCSC.
What is the InChIKey of 5-chloro-2-(ethylamino)-N-(5-methylsulfanylpentyl)benzamide?
The InChIKey is QZNZSSCNQBRULK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2OS/c1-3-17-14-8-7-12(16)11-13(14)15(19)18-9-5-4-6-10-20-2/h7-8,11,17H,3-6,9-10H2,1-2H3,(H,18,19).
What are the key properties of 5-chloro-2-(ethylamino)-N-(5-methylsulfanylpentyl)benzamide?
5-chloro-2-(ethylamino)-N-(5-methylsulfanylpentyl)benzamide has a molecular weight of 314.88 g/mol, XLogP of 4.03, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(ethylamino)-N-(5-methylsulfanylpentyl)benzamide is sourced from PubChem (CID 103529986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).