N-(2-tert-butylsulfanylethyl)benzamide

C13H19NOS — CID 2285404

IUPACN-(2-tert-butylsulfanylethyl)benzamide
SMILESCC(C)(C)SCCNC(=O)c1ccccc1
InChIInChI=1S/C13H19NOS/c1-13(2,3)16-10-9-14-12(15)11-7-5-4-6-8-11/h4-8H,9-10H2,1-3H3,(H,14,15)
InChIKeyVNVDPAPNZKLPEU-UHFFFAOYSA-N
MW237.37 g/mol
LogP2.95
Rot. Bonds4

About N-(2-tert-butylsulfanylethyl)benzamide

N-(2-tert-butylsulfanylethyl)benzamide (PubChem CID 2285404) has the molecular formula C13H19NOS and a molecular weight of 237.37 g/mol. Its IUPAC name is N-(2-tert-butylsulfanylethyl)benzamide.

Molecular Properties

Compound NameN-(2-tert-butylsulfanylethyl)benzamide
PubChem CID2285404
Molecular FormulaC13H19NOS
Molecular Weight237.37 g/mol
Exact Mass237.12
IUPAC NameN-(2-tert-butylsulfanylethyl)benzamide
SMILESCC(C)(C)SCCNC(=O)c1ccccc1
InChIInChI=1S/C13H19NOS/c1-13(2,3)16-10-9-14-12(15)11-7-5-4-6-8-11/h4-8H,9-10H2,1-3H3,(H,14,15)
InChIKeyVNVDPAPNZKLPEU-UHFFFAOYSA-N
XLogP2.95
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.37
LogP ≤ 52.95
H-Bond Donors ≤ 51
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-(2-tert-butylsulfanylethyl)benzamide?
The IUPAC name of N-(2-tert-butylsulfanylethyl)benzamide (CID 2285404) is N-(2-tert-butylsulfanylethyl)benzamide.
What is the SMILES notation for N-(2-tert-butylsulfanylethyl)benzamide?
The canonical SMILES for N-(2-tert-butylsulfanylethyl)benzamide is CC(C)(C)SCCNC(=O)c1ccccc1.
What is the InChIKey of N-(2-tert-butylsulfanylethyl)benzamide?
The InChIKey is VNVDPAPNZKLPEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NOS/c1-13(2,3)16-10-9-14-12(15)11-7-5-4-6-8-11/h4-8H,9-10H2,1-3H3,(H,14,15).
What are the key properties of N-(2-tert-butylsulfanylethyl)benzamide?
N-(2-tert-butylsulfanylethyl)benzamide has a molecular weight of 237.37 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tert-butylsulfanylethyl)benzamide is sourced from PubChem (CID 2285404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).