2-(2-chlorophenyl)sulfanyl-N-(2-piperidin-1-ylphenyl)acetamide

C19H21ClN2OS — CID 112789398

IUPAC2-(2-chlorophenyl)sulfanyl-N-(2-piperidin-1-ylphenyl)acetamide
SMILESO=C(CSc1ccccc1Cl)Nc1ccccc1N1CCCCC1
InChIInChI=1S/C19H21ClN2OS/c20-15-8-2-5-11-18(15)24-14-19(23)21-16-9-3-4-10-17(16)22-12-6-1-7-13-22/h2-5,8-11H,1,6-7,12-14H2,(H,21,23)
InChIKeyHUMDDJPRPNEEHG-UHFFFAOYSA-N
MW360.91 g/mol
LogP5.06
Rot. Bonds5

About 2-(2-chlorophenyl)sulfanyl-N-(2-piperidin-1-ylphenyl)acetamide

2-(2-chlorophenyl)sulfanyl-N-(2-piperidin-1-ylphenyl)acetamide (PubChem CID 112789398) has the molecular formula C19H21ClN2OS and a molecular weight of 360.91 g/mol. Its IUPAC name is 2-(2-chlorophenyl)sulfanyl-N-(2-piperidin-1-ylphenyl)acetamide.

Molecular Properties

Compound Name2-(2-chlorophenyl)sulfanyl-N-(2-piperidin-1-ylphenyl)acetamide
PubChem CID112789398
Molecular FormulaC19H21ClN2OS
Molecular Weight360.91 g/mol
Exact Mass360.11
IUPAC Name2-(2-chlorophenyl)sulfanyl-N-(2-piperidin-1-ylphenyl)acetamide
SMILESO=C(CSc1ccccc1Cl)Nc1ccccc1N1CCCCC1
InChIInChI=1S/C19H21ClN2OS/c20-15-8-2-5-11-18(15)24-14-19(23)21-16-9-3-4-10-17(16)22-12-6-1-7-13-22/h2-5,8-11H,1,6-7,12-14H2,(H,21,23)
InChIKeyHUMDDJPRPNEEHG-UHFFFAOYSA-N
XLogP5.06
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.91
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chlorophenyl)sulfanyl-N-(2-pyrrolidin-1-ylphenyl)acetamide
CID 35358026
N-(2-chlorophenyl)-2-(2-chlorophenyl)sulfanylacetamide
CID 2498952
2-(2-chlorophenyl)sulfanyl-N-(2,3-dichlorophenyl)acetamide
CID 4001438
2-(4-fluorophenyl)sulfanyl-N-(2-pyrrolidin-1-ylphenyl)acetamide
CID 35357969
N-(2-piperidin-1-ylphenyl)propanamide
CID 960826
N-(2-pyrrolidin-1-ylphenyl)-2-thiophen-2-ylsulfanylacetamide
CID 30898769
2-amino-N-(2-piperidin-1-ylphenyl)acetamide;dihydrochloride
CID 119828044
2-(3,4-dichlorophenyl)-N-(2-pyrrolidin-1-ylphenyl)acetamide
CID 7492195
3-amino-N-[2-(azepan-1-yl)phenyl]propanamide;dihydrochloride
CID 119842100
2-[2-(2-fluoroanilino)-2-oxoethyl]sulfanyl-N-(2-pyrrolidin-1-ylphenyl)acetamide
CID 30583413
5-chloro-N-(2-piperidin-1-ylphenyl)pentanamide
CID 43167914
2-(2-chlorophenyl)sulfanyl-N-(2-cyanophenyl)acetamide
CID 2390775

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)sulfanyl-N-(2-piperidin-1-ylphenyl)acetamide?
The IUPAC name of 2-(2-chlorophenyl)sulfanyl-N-(2-piperidin-1-ylphenyl)acetamide (CID 112789398) is 2-(2-chlorophenyl)sulfanyl-N-(2-piperidin-1-ylphenyl)acetamide.
What is the SMILES notation for 2-(2-chlorophenyl)sulfanyl-N-(2-piperidin-1-ylphenyl)acetamide?
The canonical SMILES for 2-(2-chlorophenyl)sulfanyl-N-(2-piperidin-1-ylphenyl)acetamide is O=C(CSc1ccccc1Cl)Nc1ccccc1N1CCCCC1.
What is the InChIKey of 2-(2-chlorophenyl)sulfanyl-N-(2-piperidin-1-ylphenyl)acetamide?
The InChIKey is HUMDDJPRPNEEHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2OS/c20-15-8-2-5-11-18(15)24-14-19(23)21-16-9-3-4-10-17(16)22-12-6-1-7-13-22/h2-5,8-11H,1,6-7,12-14H2,(H,21,23).
What are the key properties of 2-(2-chlorophenyl)sulfanyl-N-(2-piperidin-1-ylphenyl)acetamide?
2-(2-chlorophenyl)sulfanyl-N-(2-piperidin-1-ylphenyl)acetamide has a molecular weight of 360.91 g/mol, XLogP of 5.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)sulfanyl-N-(2-piperidin-1-ylphenyl)acetamide is sourced from PubChem (CID 112789398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).