N-cyclobutyl-3-(4-fluorophenyl)sulfanyl-N-(3-hydroxypropyl)propanamide

C16H22FNO2S — CID 102866164

IUPACN-cyclobutyl-3-(4-fluorophenyl)sulfanyl-N-(3-hydroxypropyl)propanamide
SMILESO=C(CCSc1ccc(F)cc1)N(CCCO)C1CCC1
InChIInChI=1S/C16H22FNO2S/c17-13-5-7-15(8-6-13)21-12-9-16(20)18(10-2-11-19)14-3-1-4-14/h5-8,14,19H,1-4,9-12H2
InChIKeyYVLATISQGGZNHJ-UHFFFAOYSA-N
MW311.42 g/mol
LogP3.07
Rot. Bonds8

About N-cyclobutyl-3-(4-fluorophenyl)sulfanyl-N-(3-hydroxypropyl)propanamide

N-cyclobutyl-3-(4-fluorophenyl)sulfanyl-N-(3-hydroxypropyl)propanamide (PubChem CID 102866164) has the molecular formula C16H22FNO2S and a molecular weight of 311.42 g/mol. Its IUPAC name is N-cyclobutyl-3-(4-fluorophenyl)sulfanyl-N-(3-hydroxypropyl)propanamide.

Molecular Properties

Compound NameN-cyclobutyl-3-(4-fluorophenyl)sulfanyl-N-(3-hydroxypropyl)propanamide
PubChem CID102866164
Molecular FormulaC16H22FNO2S
Molecular Weight311.42 g/mol
Exact Mass311.14
IUPAC NameN-cyclobutyl-3-(4-fluorophenyl)sulfanyl-N-(3-hydroxypropyl)propanamide
SMILESO=C(CCSc1ccc(F)cc1)N(CCCO)C1CCC1
InChIInChI=1S/C16H22FNO2S/c17-13-5-7-15(8-6-13)21-12-9-16(20)18(10-2-11-19)14-3-1-4-14/h5-8,14,19H,1-4,9-12H2
InChIKeyYVLATISQGGZNHJ-UHFFFAOYSA-N
XLogP3.07
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.42
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-cyclobutyl-3-(4-fluorophenyl)sulfanyl-N-(3-hydroxypropyl)propanamide 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-cyclobutyl-N-(2-hydroxyethyl)-4-phenylsulfanylbutanamide
CID 102684582
3-(4-chlorophenyl)sulfanyl-N-cyclopropyl-N-(2-hydroxyethyl)propanamide
CID 43577284
3-(2-chlorophenyl)sulfanyl-N-cyclobutyl-N-(3-hydroxypropyl)propanamide
CID 102866178
N-cyclobutyl-3-(3-fluorophenoxy)-N-(3-hydroxypropyl)propanamide
CID 102866340
N-cyclopropyl-3-(3,4-dimethylphenyl)sulfanyl-N-(2-hydroxyethyl)propanamide
CID 43577392
[2-[cyclohexyl(ethyl)amino]-2-oxoethyl] 3-(4-fluorophenyl)sulfanylpropanoate
CID 55312583
3-[cyclopropyl-[3-(4-methylphenyl)sulfanylpropanoyl]amino]propanoic acid
CID 60844706
N-cyclobutyl-2-(2,4-difluorophenoxy)-N-(3-hydroxypropyl)acetamide
CID 102866483
3-(4-chlorophenyl)sulfanyl-N-piperidin-4-yl-N-propylpropanamide;hydrochloride
CID 119824335
2-(4-chlorophenyl)-N-cyclobutyl-N-(3-hydroxypropyl)acetamide
CID 102866603
5-(4-fluorophenyl)sulfanylpentan-1-ol
CID 62228825
5-amino-N-cyclobutyl-N-(3-hydroxypropyl)pentanamide
CID 102861717

Frequently Asked Questions

What is the IUPAC name of N-cyclobutyl-3-(4-fluorophenyl)sulfanyl-N-(3-hydroxypropyl)propanamide?
The IUPAC name of N-cyclobutyl-3-(4-fluorophenyl)sulfanyl-N-(3-hydroxypropyl)propanamide (CID 102866164) is N-cyclobutyl-3-(4-fluorophenyl)sulfanyl-N-(3-hydroxypropyl)propanamide.
What is the SMILES notation for N-cyclobutyl-3-(4-fluorophenyl)sulfanyl-N-(3-hydroxypropyl)propanamide?
The canonical SMILES for N-cyclobutyl-3-(4-fluorophenyl)sulfanyl-N-(3-hydroxypropyl)propanamide is O=C(CCSc1ccc(F)cc1)N(CCCO)C1CCC1.
What is the InChIKey of N-cyclobutyl-3-(4-fluorophenyl)sulfanyl-N-(3-hydroxypropyl)propanamide?
The InChIKey is YVLATISQGGZNHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FNO2S/c17-13-5-7-15(8-6-13)21-12-9-16(20)18(10-2-11-19)14-3-1-4-14/h5-8,14,19H,1-4,9-12H2.
What are the key properties of N-cyclobutyl-3-(4-fluorophenyl)sulfanyl-N-(3-hydroxypropyl)propanamide?
N-cyclobutyl-3-(4-fluorophenyl)sulfanyl-N-(3-hydroxypropyl)propanamide has a molecular weight of 311.42 g/mol, XLogP of 3.07, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclobutyl-3-(4-fluorophenyl)sulfanyl-N-(3-hydroxypropyl)propanamide is sourced from PubChem (CID 102866164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).