N-(6-methylheptan-2-yl)-4-sulfanylbenzamide

C15H23NOS — CID 107025136

IUPACN-(6-methylheptan-2-yl)-4-sulfanylbenzamide
SMILESCC(C)CCCC(C)NC(=O)c1ccc(S)cc1
InChIInChI=1S/C15H23NOS/c1-11(2)5-4-6-12(3)16-15(17)13-7-9-14(18)10-8-13/h7-12,18H,4-6H2,1-3H3,(H,16,17)
InChIKeyZBLMZIDWIBIOMU-UHFFFAOYSA-N
MW265.42 g/mol
LogP3.92
Rot. Bonds6

About N-(6-methylheptan-2-yl)-4-sulfanylbenzamide

N-(6-methylheptan-2-yl)-4-sulfanylbenzamide (PubChem CID 107025136) has the molecular formula C15H23NOS and a molecular weight of 265.42 g/mol. Its IUPAC name is N-(6-methylheptan-2-yl)-4-sulfanylbenzamide.

Molecular Properties

Compound NameN-(6-methylheptan-2-yl)-4-sulfanylbenzamide
PubChem CID107025136
Molecular FormulaC15H23NOS
Molecular Weight265.42 g/mol
Exact Mass265.15
IUPAC NameN-(6-methylheptan-2-yl)-4-sulfanylbenzamide
SMILESCC(C)CCCC(C)NC(=O)c1ccc(S)cc1
InChIInChI=1S/C15H23NOS/c1-11(2)5-4-6-12(3)16-15(17)13-7-9-14(18)10-8-13/h7-12,18H,4-6H2,1-3H3,(H,16,17)
InChIKeyZBLMZIDWIBIOMU-UHFFFAOYSA-N
XLogP3.92
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.42
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

N-octan-2-yl-4-sulfanylbenzamide
CID 107025266
N-(4-amino-4-oxobutan-2-yl)-4-sulfanylbenzamide
CID 107035767
N-(4-phenylbutan-2-yl)-4-sulfanylbenzamide
CID 107026940
N-(1-phenylpropan-2-yl)-4-sulfanylbenzamide
CID 107029231
6-amino-N-(6-methylheptan-2-yl)pyridine-3-carboxamide
CID 62073113
N-(6-methylheptan-2-yl)-4-(tetrazol-1-yl)benzamide
CID 43912872
5-(6-methylheptan-2-ylcarbamoyl)pyridine-2-carboxylic acid
CID 60725401
3-amino-4-fluoro-N-(6-methylheptan-2-yl)benzamide
CID 61111337
1-methyl-N-(6-methylheptan-2-yl)pyrazole-4-carboxamide
CID 86915318
N-octan-4-yl-4-sulfanylbenzamide
CID 114138154
3-(6-methylheptan-2-ylcarbamoyl)benzenesulfonyl chloride
CID 61470964
N-(6-methylheptan-2-yl)-4-(pyridin-4-ylsulfamoyl)benzamide
CID 46546290

Frequently Asked Questions

What is the IUPAC name of N-(6-methylheptan-2-yl)-4-sulfanylbenzamide?
The IUPAC name of N-(6-methylheptan-2-yl)-4-sulfanylbenzamide (CID 107025136) is N-(6-methylheptan-2-yl)-4-sulfanylbenzamide.
What is the SMILES notation for N-(6-methylheptan-2-yl)-4-sulfanylbenzamide?
The canonical SMILES for N-(6-methylheptan-2-yl)-4-sulfanylbenzamide is CC(C)CCCC(C)NC(=O)c1ccc(S)cc1.
What is the InChIKey of N-(6-methylheptan-2-yl)-4-sulfanylbenzamide?
The InChIKey is ZBLMZIDWIBIOMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NOS/c1-11(2)5-4-6-12(3)16-15(17)13-7-9-14(18)10-8-13/h7-12,18H,4-6H2,1-3H3,(H,16,17).
What are the key properties of N-(6-methylheptan-2-yl)-4-sulfanylbenzamide?
N-(6-methylheptan-2-yl)-4-sulfanylbenzamide has a molecular weight of 265.42 g/mol, XLogP of 3.92, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methylheptan-2-yl)-4-sulfanylbenzamide is sourced from PubChem (CID 107025136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).