N-[1-[2-(4-chlorophenyl)acetyl]piperidin-4-yl]-2-sulfanylbenzamide

C20H21ClN2O2S — CID 108561610

IUPACN-[1-[2-(4-chlorophenyl)acetyl]piperidin-4-yl]-2-sulfanylbenzamide
SMILESO=C(NC1CCN(C(=O)Cc2ccc(Cl)cc2)CC1)c1ccccc1S
InChIInChI=1S/C20H21ClN2O2S/c21-15-7-5-14(6-8-15)13-19(24)23-11-9-16(10-12-23)22-20(25)17-3-1-2-4-18(17)26/h1-8,16,26H,9-13H2,(H,22,25)
InChIKeyUWULBSGAWLNRFP-UHFFFAOYSA-N
MW388.92 g/mol
LogP3.59
Rot. Bonds4

About N-[1-[2-(4-chlorophenyl)acetyl]piperidin-4-yl]-2-sulfanylbenzamide

N-[1-[2-(4-chlorophenyl)acetyl]piperidin-4-yl]-2-sulfanylbenzamide (PubChem CID 108561610) has the molecular formula C20H21ClN2O2S and a molecular weight of 388.92 g/mol. Its IUPAC name is N-[1-[2-(4-chlorophenyl)acetyl]piperidin-4-yl]-2-sulfanylbenzamide.

Molecular Properties

Compound NameN-[1-[2-(4-chlorophenyl)acetyl]piperidin-4-yl]-2-sulfanylbenzamide
PubChem CID108561610
Molecular FormulaC20H21ClN2O2S
Molecular Weight388.92 g/mol
Exact Mass388.10
IUPAC NameN-[1-[2-(4-chlorophenyl)acetyl]piperidin-4-yl]-2-sulfanylbenzamide
SMILESO=C(NC1CCN(C(=O)Cc2ccc(Cl)cc2)CC1)c1ccccc1S
InChIInChI=1S/C20H21ClN2O2S/c21-15-7-5-14(6-8-15)13-19(24)23-11-9-16(10-12-23)22-20(25)17-3-1-2-4-18(17)26/h1-8,16,26H,9-13H2,(H,22,25)
InChIKeyUWULBSGAWLNRFP-UHFFFAOYSA-N
XLogP3.59
TPSA49.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.92
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[1-[2-(4-chlorophenyl)acetyl]piperidin-4-yl]-2-(trifluoromethyl)benzamide
CID 108561767
N-[1-[2-(4-chlorophenyl)acetyl]piperidin-4-yl]naphthalene-1-carboxamide
CID 108561362
N-[1-[2-(4-chlorophenyl)acetyl]piperidin-4-yl]-2-methoxybenzamide
CID 108559283
N-[1-(2-methoxyacetyl)piperidin-4-yl]-2-sulfanylbenzamide
CID 108554750
2-bromo-N-[1-(2-phenylacetyl)piperidin-4-yl]benzamide
CID 108550222
N-[1-[2-(4-chlorophenyl)acetyl]piperidin-4-yl]-2-(4-fluorophenyl)acetamide
CID 108559477
2-(4-chlorophenyl)-1-[4-(methylamino)piperidin-1-yl]ethanone;hydrochloride
CID 119563636
N-[1-(3-cyclohexylpropanoyl)piperidin-4-yl]-2-sulfanylbenzamide
CID 108554734
N-[1-[4-(2-chlorophenoxy)butanoyl]piperidin-4-yl]-2-sulfanylbenzamide
CID 108554712
1-[1-[2-(4-chlorophenyl)acetyl]piperidin-4-yl]-3-propylurea
CID 110820802
2-(4-chlorophenoxy)-N-[1-[2-(4-chlorophenyl)acetyl]piperidin-4-yl]acetamide
CID 108561465
2-(4-chlorophenoxy)-N-[1-(2-phenylacetyl)piperidin-4-yl]acetamide
CID 108554314

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(4-chlorophenyl)acetyl]piperidin-4-yl]-2-sulfanylbenzamide?
The IUPAC name of N-[1-[2-(4-chlorophenyl)acetyl]piperidin-4-yl]-2-sulfanylbenzamide (CID 108561610) is N-[1-[2-(4-chlorophenyl)acetyl]piperidin-4-yl]-2-sulfanylbenzamide.
What is the SMILES notation for N-[1-[2-(4-chlorophenyl)acetyl]piperidin-4-yl]-2-sulfanylbenzamide?
The canonical SMILES for N-[1-[2-(4-chlorophenyl)acetyl]piperidin-4-yl]-2-sulfanylbenzamide is O=C(NC1CCN(C(=O)Cc2ccc(Cl)cc2)CC1)c1ccccc1S.
What is the InChIKey of N-[1-[2-(4-chlorophenyl)acetyl]piperidin-4-yl]-2-sulfanylbenzamide?
The InChIKey is UWULBSGAWLNRFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN2O2S/c21-15-7-5-14(6-8-15)13-19(24)23-11-9-16(10-12-23)22-20(25)17-3-1-2-4-18(17)26/h1-8,16,26H,9-13H2,(H,22,25).
What are the key properties of N-[1-[2-(4-chlorophenyl)acetyl]piperidin-4-yl]-2-sulfanylbenzamide?
N-[1-[2-(4-chlorophenyl)acetyl]piperidin-4-yl]-2-sulfanylbenzamide has a molecular weight of 388.92 g/mol, XLogP of 3.59, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(4-chlorophenyl)acetyl]piperidin-4-yl]-2-sulfanylbenzamide is sourced from PubChem (CID 108561610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).