N-pentan-3-yl-2-propylsulfanylbenzamide

C15H23NOS — CID 17310486

IUPACN-pentan-3-yl-2-propylsulfanylbenzamide
SMILESCCCSc1ccccc1C(=O)NC(CC)CC
InChIInChI=1S/C15H23NOS/c1-4-11-18-14-10-8-7-9-13(14)15(17)16-12(5-2)6-3/h7-10,12H,4-6,11H2,1-3H3,(H,16,17)
InChIKeyVBMVKEPPWFUVPR-UHFFFAOYSA-N
MW265.42 g/mol
LogP4.11
Rot. Bonds7

About N-pentan-3-yl-2-propylsulfanylbenzamide

N-pentan-3-yl-2-propylsulfanylbenzamide (PubChem CID 17310486) has the molecular formula C15H23NOS and a molecular weight of 265.42 g/mol. Its IUPAC name is N-pentan-3-yl-2-propylsulfanylbenzamide.

Molecular Properties

Compound NameN-pentan-3-yl-2-propylsulfanylbenzamide
PubChem CID17310486
Molecular FormulaC15H23NOS
Molecular Weight265.42 g/mol
Exact Mass265.15
IUPAC NameN-pentan-3-yl-2-propylsulfanylbenzamide
SMILESCCCSc1ccccc1C(=O)NC(CC)CC
InChIInChI=1S/C15H23NOS/c1-4-11-18-14-10-8-7-9-13(14)15(17)16-12(5-2)6-3/h7-10,12H,4-6,11H2,1-3H3,(H,16,17)
InChIKeyVBMVKEPPWFUVPR-UHFFFAOYSA-N
XLogP4.11
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
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

Analyze N-pentan-3-yl-2-propylsulfanylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-pentan-3-yl-2-propan-2-ylsulfanylbenzamide
CID 17224632
N-pentyl-2-propylsulfanylbenzamide
CID 17310366
methyl 2-[(2-propylsulfanylbenzoyl)amino]acetate
CID 17310368
2-propylsulfanyl-N-(2,4,4-trimethylpentan-2-yl)benzamide
CID 17310545
2-methylsulfonyl-N-pentan-3-ylbenzamide
CID 16625808
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-pentan-3-ylbenzamide
CID 78782472
2-amino-N-pentan-3-ylbenzamide;hydrochloride
CID 119943648
N-hexan-3-yl-2-hydroxybenzamide
CID 62046226
N-pentan-3-yl-2-phenoxybenzamide
CID 884731
N-butan-2-yl-2-(cyanomethylsulfanyl)benzamide
CID 47004681
N-[(2R)-butan-2-yl]-2-(cyanomethylsulfanyl)benzamide
CID 94336055
ethyl 4-[(2-propylsulfanylbenzoyl)amino]benzoate
CID 17310365

Frequently Asked Questions

What is the IUPAC name of N-pentan-3-yl-2-propylsulfanylbenzamide?
The IUPAC name of N-pentan-3-yl-2-propylsulfanylbenzamide (CID 17310486) is N-pentan-3-yl-2-propylsulfanylbenzamide.
What is the SMILES notation for N-pentan-3-yl-2-propylsulfanylbenzamide?
The canonical SMILES for N-pentan-3-yl-2-propylsulfanylbenzamide is CCCSc1ccccc1C(=O)NC(CC)CC.
What is the InChIKey of N-pentan-3-yl-2-propylsulfanylbenzamide?
The InChIKey is VBMVKEPPWFUVPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NOS/c1-4-11-18-14-10-8-7-9-13(14)15(17)16-12(5-2)6-3/h7-10,12H,4-6,11H2,1-3H3,(H,16,17).
What are the key properties of N-pentan-3-yl-2-propylsulfanylbenzamide?
N-pentan-3-yl-2-propylsulfanylbenzamide has a molecular weight of 265.42 g/mol, XLogP of 4.11, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-pentan-3-yl-2-propylsulfanylbenzamide is sourced from PubChem (CID 17310486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).