3-(4-chlorophenyl)sulfanyl-N-(1-propan-2-ylpiperidin-4-yl)propanamide

C17H25ClN2OS — CID 51203757

IUPAC3-(4-chlorophenyl)sulfanyl-N-(1-propan-2-ylpiperidin-4-yl)propanamide
SMILESCC(C)N1CCC(NC(=O)CCSc2ccc(Cl)cc2)CC1
InChIInChI=1S/C17H25ClN2OS/c1-13(2)20-10-7-15(8-11-20)19-17(21)9-12-22-16-5-3-14(18)4-6-16/h3-6,13,15H,7-12H2,1-2H3,(H,19,21)
InChIKeyYWXLLWYEYPMYTA-UHFFFAOYSA-N
MW340.92 g/mol
LogP3.81
Rot. Bonds6

About 3-(4-chlorophenyl)sulfanyl-N-(1-propan-2-ylpiperidin-4-yl)propanamide

3-(4-chlorophenyl)sulfanyl-N-(1-propan-2-ylpiperidin-4-yl)propanamide (PubChem CID 51203757) has the molecular formula C17H25ClN2OS and a molecular weight of 340.92 g/mol. Its IUPAC name is 3-(4-chlorophenyl)sulfanyl-N-(1-propan-2-ylpiperidin-4-yl)propanamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)sulfanyl-N-(1-propan-2-ylpiperidin-4-yl)propanamide
PubChem CID51203757
Molecular FormulaC17H25ClN2OS
Molecular Weight340.92 g/mol
Exact Mass340.14
IUPAC Name3-(4-chlorophenyl)sulfanyl-N-(1-propan-2-ylpiperidin-4-yl)propanamide
SMILESCC(C)N1CCC(NC(=O)CCSc2ccc(Cl)cc2)CC1
InChIInChI=1S/C17H25ClN2OS/c1-13(2)20-10-7-15(8-11-20)19-17(21)9-12-22-16-5-3-14(18)4-6-16/h3-6,13,15H,7-12H2,1-2H3,(H,19,21)
InChIKeyYWXLLWYEYPMYTA-UHFFFAOYSA-N
XLogP3.81
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.92
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(4-chlorophenyl)sulfanyl-N-(1-propan-2-ylpiperidin-4-yl)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

2-(4-chlorophenyl)sulfanyl-N-(1-methylpiperidin-4-yl)acetamide
CID 53279584
3-(4-methylphenyl)sulfanyl-N-(1-methylpiperidin-4-yl)propanamide
CID 53278983
3-(4-chlorophenyl)sulfanyl-N-(2-methylpiperidin-4-yl)propanamide
CID 120598283
4-hydroxy-N-(1-propan-2-ylpiperidin-4-yl)pentanamide
CID 79200680
5-chloro-N-(1-propan-2-ylpiperidin-4-yl)pentanamide
CID 43700529
2-(4-chlorophenyl)sulfanyl-N-cyclododecylacetamide
CID 19203546
ethyl 4-[[2-(4-chlorophenyl)sulfanylacetyl]amino]piperidine-1-carboxylate
CID 26776895
[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl] 3-(4-chlorophenyl)sulfanylpropanoate
CID 7840887
2-chloro-N-(1-propan-2-ylpiperidin-4-yl)acetamide;hydrochloride
CID 54593359
N-(1-propan-2-ylpiperidin-4-yl)-3-thiophen-2-ylpropanamide
CID 110751959
4-(4-chlorophenyl)sulfanyl-1-[4-(methylamino)piperidin-1-yl]butan-1-one
CID 119560247
[2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 3-(4-chlorophenyl)sulfanylpropanoate
CID 7840897

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)sulfanyl-N-(1-propan-2-ylpiperidin-4-yl)propanamide?
The IUPAC name of 3-(4-chlorophenyl)sulfanyl-N-(1-propan-2-ylpiperidin-4-yl)propanamide (CID 51203757) is 3-(4-chlorophenyl)sulfanyl-N-(1-propan-2-ylpiperidin-4-yl)propanamide.
What is the SMILES notation for 3-(4-chlorophenyl)sulfanyl-N-(1-propan-2-ylpiperidin-4-yl)propanamide?
The canonical SMILES for 3-(4-chlorophenyl)sulfanyl-N-(1-propan-2-ylpiperidin-4-yl)propanamide is CC(C)N1CCC(NC(=O)CCSc2ccc(Cl)cc2)CC1.
What is the InChIKey of 3-(4-chlorophenyl)sulfanyl-N-(1-propan-2-ylpiperidin-4-yl)propanamide?
The InChIKey is YWXLLWYEYPMYTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClN2OS/c1-13(2)20-10-7-15(8-11-20)19-17(21)9-12-22-16-5-3-14(18)4-6-16/h3-6,13,15H,7-12H2,1-2H3,(H,19,21).
What are the key properties of 3-(4-chlorophenyl)sulfanyl-N-(1-propan-2-ylpiperidin-4-yl)propanamide?
3-(4-chlorophenyl)sulfanyl-N-(1-propan-2-ylpiperidin-4-yl)propanamide has a molecular weight of 340.92 g/mol, XLogP of 3.81, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)sulfanyl-N-(1-propan-2-ylpiperidin-4-yl)propanamide is sourced from PubChem (CID 51203757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).