2-methylsulfanyl-N-pentan-2-ylbenzamide

C13H19NOS — CID 2981526

IUPAC2-methylsulfanyl-N-pentan-2-ylbenzamide
SMILESCCCC(C)NC(=O)c1ccccc1SC
InChIInChI=1S/C13H19NOS/c1-4-7-10(2)14-13(15)11-8-5-6-9-12(11)16-3/h5-6,8-10H,4,7H2,1-3H3,(H,14,15)
InChIKeyMBDHINBGEADFIX-UHFFFAOYSA-N
MW237.37 g/mol
LogP3.33
Rot. Bonds5

About 2-methylsulfanyl-N-pentan-2-ylbenzamide

2-methylsulfanyl-N-pentan-2-ylbenzamide (PubChem CID 2981526) has the molecular formula C13H19NOS and a molecular weight of 237.37 g/mol. Its IUPAC name is 2-methylsulfanyl-N-pentan-2-ylbenzamide.

Molecular Properties

Compound Name2-methylsulfanyl-N-pentan-2-ylbenzamide
PubChem CID2981526
Molecular FormulaC13H19NOS
Molecular Weight237.37 g/mol
Exact Mass237.12
IUPAC Name2-methylsulfanyl-N-pentan-2-ylbenzamide
SMILESCCCC(C)NC(=O)c1ccccc1SC
InChIInChI=1S/C13H19NOS/c1-4-7-10(2)14-13(15)11-8-5-6-9-12(11)16-3/h5-6,8-10H,4,7H2,1-3H3,(H,14,15)
InChIKeyMBDHINBGEADFIX-UHFFFAOYSA-N
XLogP3.33
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.37
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 25354
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CID 11959
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CID 76024
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CID 15657
N-(6-Mercapto-hexyl)-benzamide
CID 11447748
N-(sec-butyl)-2-(methylthio)benzamide
CID 2962961
N-Cyclohexyl-4-methylbenzamide
CID 228684
4-methyl-N-[2-(2-thienyl)ethyl]benzamide
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N-Methyl-4-(methylthio)benzamide
CID 4518228
N-[5-(hydroxyamino)-5-oxopentyl]-2-[(2Z,6Z)-3,7,11-trimethyldodeca-2,6,10-trienyl]sulfanylbenzamide
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CID 2223490

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-N-pentan-2-ylbenzamide?
The IUPAC name of 2-methylsulfanyl-N-pentan-2-ylbenzamide (CID 2981526) is 2-methylsulfanyl-N-pentan-2-ylbenzamide.
What is the SMILES notation for 2-methylsulfanyl-N-pentan-2-ylbenzamide?
The canonical SMILES for 2-methylsulfanyl-N-pentan-2-ylbenzamide is CCCC(C)NC(=O)c1ccccc1SC.
What is the InChIKey of 2-methylsulfanyl-N-pentan-2-ylbenzamide?
The InChIKey is MBDHINBGEADFIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NOS/c1-4-7-10(2)14-13(15)11-8-5-6-9-12(11)16-3/h5-6,8-10H,4,7H2,1-3H3,(H,14,15).
What are the key properties of 2-methylsulfanyl-N-pentan-2-ylbenzamide?
2-methylsulfanyl-N-pentan-2-ylbenzamide has a molecular weight of 237.37 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-N-pentan-2-ylbenzamide is sourced from PubChem (CID 2981526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).