N-pentyl-2-propylsulfanylbenzamide

C15H23NOS — CID 17310366

IUPACN-pentyl-2-propylsulfanylbenzamide
SMILESCCCCCNC(=O)c1ccccc1SCCC
InChIInChI=1S/C15H23NOS/c1-3-5-8-11-16-15(17)13-9-6-7-10-14(13)18-12-4-2/h6-7,9-10H,3-5,8,11-12H2,1-2H3,(H,16,17)
InChIKeyDWLXWUYEWZFZJZ-UHFFFAOYSA-N
MW265.42 g/mol
LogP4.11
Rot. Bonds8

About N-pentyl-2-propylsulfanylbenzamide

N-pentyl-2-propylsulfanylbenzamide (PubChem CID 17310366) has the molecular formula C15H23NOS and a molecular weight of 265.42 g/mol. Its IUPAC name is N-pentyl-2-propylsulfanylbenzamide.

Molecular Properties

Compound NameN-pentyl-2-propylsulfanylbenzamide
PubChem CID17310366
Molecular FormulaC15H23NOS
Molecular Weight265.42 g/mol
Exact Mass265.15
IUPAC NameN-pentyl-2-propylsulfanylbenzamide
SMILESCCCCCNC(=O)c1ccccc1SCCC
InChIInChI=1S/C15H23NOS/c1-3-5-8-11-16-15(17)13-9-6-7-10-14(13)18-12-4-2/h6-7,9-10H,3-5,8,11-12H2,1-2H3,(H,16,17)
InChIKeyDWLXWUYEWZFZJZ-UHFFFAOYSA-N
XLogP4.11
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.42
LogP ≤ 54.11
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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Related Compounds

N-butyl-2-methylsulfanylbenzamide
CID 59510338
2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-N-pentylbenzamide
CID 112759734
N-pentan-3-yl-2-propylsulfanylbenzamide
CID 17310486
methyl 2-[(2-propylsulfanylbenzoyl)amino]acetate
CID 17310368
N-hexyl-2-methylbenzamide
CID 3017102
2-(pentylcarbamoyl)benzoate
CID 7429981
2-chloro-N-undecylbenzamide
CID 3373978
2-(nonylcarbamoyl)benzoic acid
CID 177437719
2-(octacosylcarbamoyl)benzoic acid
CID 175036056
2-amino-N-dodecylbenzamide
CID 54099396
2,3-difluoro-N-pentylbenzamide
CID 62649821
N-dodecylnaphthalene-1-carboxamide
CID 4278758

Frequently Asked Questions

What is the IUPAC name of N-pentyl-2-propylsulfanylbenzamide?
The IUPAC name of N-pentyl-2-propylsulfanylbenzamide (CID 17310366) is N-pentyl-2-propylsulfanylbenzamide.
What is the SMILES notation for N-pentyl-2-propylsulfanylbenzamide?
The canonical SMILES for N-pentyl-2-propylsulfanylbenzamide is CCCCCNC(=O)c1ccccc1SCCC.
What is the InChIKey of N-pentyl-2-propylsulfanylbenzamide?
The InChIKey is DWLXWUYEWZFZJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NOS/c1-3-5-8-11-16-15(17)13-9-6-7-10-14(13)18-12-4-2/h6-7,9-10H,3-5,8,11-12H2,1-2H3,(H,16,17).
What are the key properties of N-pentyl-2-propylsulfanylbenzamide?
N-pentyl-2-propylsulfanylbenzamide has a molecular weight of 265.42 g/mol, XLogP of 4.11, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-pentyl-2-propylsulfanylbenzamide is sourced from PubChem (CID 17310366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).