N-(2-tert-butylsulfanylethyl)-2-methylsulfanylbenzamide

C14H21NOS2 — CID 2224882

IUPACN-(2-tert-butylsulfanylethyl)-2-methylsulfanylbenzamide
SMILESCSc1ccccc1C(=O)NCCSC(C)(C)C
InChIInChI=1S/C14H21NOS2/c1-14(2,3)18-10-9-15-13(16)11-7-5-6-8-12(11)17-4/h5-8H,9-10H2,1-4H3,(H,15,16)
InChIKeyQCKYFXJZVICNJR-UHFFFAOYSA-N
MW283.46 g/mol
LogP3.67
Rot. Bonds5

About N-(2-tert-butylsulfanylethyl)-2-methylsulfanylbenzamide

N-(2-tert-butylsulfanylethyl)-2-methylsulfanylbenzamide (PubChem CID 2224882) has the molecular formula C14H21NOS2 and a molecular weight of 283.46 g/mol. Its IUPAC name is N-(2-tert-butylsulfanylethyl)-2-methylsulfanylbenzamide.

Molecular Properties

Compound NameN-(2-tert-butylsulfanylethyl)-2-methylsulfanylbenzamide
PubChem CID2224882
Molecular FormulaC14H21NOS2
Molecular Weight283.46 g/mol
Exact Mass283.11
IUPAC NameN-(2-tert-butylsulfanylethyl)-2-methylsulfanylbenzamide
SMILESCSc1ccccc1C(=O)NCCSC(C)(C)C
InChIInChI=1S/C14H21NOS2/c1-14(2,3)18-10-9-15-13(16)11-7-5-6-8-12(11)17-4/h5-8H,9-10H2,1-4H3,(H,15,16)
InChIKeyQCKYFXJZVICNJR-UHFFFAOYSA-N
XLogP3.67
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.46
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-cyclopentylsulfanylethyl)-2-methylsulfanylbenzamide
CID 94101618
N-butyl-2-methylsulfanylbenzamide
CID 59510338
N-(2-methoxyethyl)-2-methylsulfanylbenzamide
CID 5090487
2-methylsulfanyl-N-[2-(4-nitroanilino)ethyl]benzamide
CID 26446065
N-tert-butyl-2-methylsulfanylbenzamide
CID 967733
2-methylsulfanyl-N-(2-phenoxyethyl)benzamide
CID 26903219
N-(4-cyanobutyl)-2-methylsulfanylbenzamide
CID 78929278
N-benzyl-2-methylsulfanylbenzamide
CID 966900
N-(5-hydroxy-4-methylpentyl)-2-methylsulfanylbenzamide
CID 103861423
N-(2-aminopropyl)-2-methylsulfanylbenzamide
CID 79218118
N-(2-cyclopropyl-2-hydroxypropyl)-2-methylsulfanylbenzamide
CID 52992742
N-[2-(1-adamantyloxy)ethyl]-2-methylsulfanylbenzamide
CID 3767855

Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butylsulfanylethyl)-2-methylsulfanylbenzamide?
The IUPAC name of N-(2-tert-butylsulfanylethyl)-2-methylsulfanylbenzamide (CID 2224882) is N-(2-tert-butylsulfanylethyl)-2-methylsulfanylbenzamide.
What is the SMILES notation for N-(2-tert-butylsulfanylethyl)-2-methylsulfanylbenzamide?
The canonical SMILES for N-(2-tert-butylsulfanylethyl)-2-methylsulfanylbenzamide is CSc1ccccc1C(=O)NCCSC(C)(C)C.
What is the InChIKey of N-(2-tert-butylsulfanylethyl)-2-methylsulfanylbenzamide?
The InChIKey is QCKYFXJZVICNJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NOS2/c1-14(2,3)18-10-9-15-13(16)11-7-5-6-8-12(11)17-4/h5-8H,9-10H2,1-4H3,(H,15,16).
What are the key properties of N-(2-tert-butylsulfanylethyl)-2-methylsulfanylbenzamide?
N-(2-tert-butylsulfanylethyl)-2-methylsulfanylbenzamide has a molecular weight of 283.46 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tert-butylsulfanylethyl)-2-methylsulfanylbenzamide is sourced from PubChem (CID 2224882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).