N-[(Z)-2-methylsulfanylpent-2-enyl]benzamide

C13H17NOS — CID 142217493

IUPACN-[(Z)-2-methylsulfanylpent-2-enyl]benzamide
SMILESCC/C=C(/CNC(=O)c1ccccc1)SC
InChIInChI=1S/C13H17NOS/c1-3-7-12(16-2)10-14-13(15)11-8-5-4-6-9-11/h4-9H,3,10H2,1-2H3,(H,14,15)/b12-7-
InChIKeyKVAQCTKGNJPTKC-GHXNOFRVSA-N
MW235.35 g/mol
LogP3.07
Rot. Bonds5

About N-[(Z)-2-methylsulfanylpent-2-enyl]benzamide

N-[(Z)-2-methylsulfanylpent-2-enyl]benzamide (PubChem CID 142217493) has the molecular formula C13H17NOS and a molecular weight of 235.35 g/mol. Its IUPAC name is N-[(Z)-2-methylsulfanylpent-2-enyl]benzamide.

Molecular Properties

Compound NameN-[(Z)-2-methylsulfanylpent-2-enyl]benzamide
PubChem CID142217493
Molecular FormulaC13H17NOS
Molecular Weight235.35 g/mol
Exact Mass235.10
IUPAC NameN-[(Z)-2-methylsulfanylpent-2-enyl]benzamide
SMILESCC/C=C(/CNC(=O)c1ccccc1)SC
InChIInChI=1S/C13H17NOS/c1-3-7-12(16-2)10-14-13(15)11-8-5-4-6-9-11/h4-9H,3,10H2,1-2H3,(H,14,15)/b12-7-
InChIKeyKVAQCTKGNJPTKC-GHXNOFRVSA-N
XLogP3.07
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-2-methylsulfanylpent-2-enyl]benzamide?
The IUPAC name of N-[(Z)-2-methylsulfanylpent-2-enyl]benzamide (CID 142217493) is N-[(Z)-2-methylsulfanylpent-2-enyl]benzamide.
What is the SMILES notation for N-[(Z)-2-methylsulfanylpent-2-enyl]benzamide?
The canonical SMILES for N-[(Z)-2-methylsulfanylpent-2-enyl]benzamide is CC/C=C(/CNC(=O)c1ccccc1)SC.
What is the InChIKey of N-[(Z)-2-methylsulfanylpent-2-enyl]benzamide?
The InChIKey is KVAQCTKGNJPTKC-GHXNOFRVSA-N. The full InChI is InChI=1S/C13H17NOS/c1-3-7-12(16-2)10-14-13(15)11-8-5-4-6-9-11/h4-9H,3,10H2,1-2H3,(H,14,15)/b12-7-.
What are the key properties of N-[(Z)-2-methylsulfanylpent-2-enyl]benzamide?
N-[(Z)-2-methylsulfanylpent-2-enyl]benzamide has a molecular weight of 235.35 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-2-methylsulfanylpent-2-enyl]benzamide is sourced from PubChem (CID 142217493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).