2-(4-methylquinolin-2-yl)sulfanyl-N-(4-piperidin-1-ylphenyl)acetamide

C23H25N3OS — CID 2401714

IUPAC2-(4-methylquinolin-2-yl)sulfanyl-N-(4-piperidin-1-ylphenyl)acetamide
SMILESCc1cc(SCC(=O)Nc2ccc(N3CCCCC3)cc2)nc2ccccc12
InChIInChI=1S/C23H25N3OS/c1-17-15-23(25-21-8-4-3-7-20(17)21)28-16-22(27)24-18-9-11-19(12-10-18)26-13-5-2-6-14-26/h3-4,7-12,15H,2,5-6,13-14,16H2,1H3,(H,24,27)
InChIKeyUBDYYXBQNDHNCQ-UHFFFAOYSA-N
MW391.54 g/mol
LogP5.26
Rot. Bonds5

About 2-(4-methylquinolin-2-yl)sulfanyl-N-(4-piperidin-1-ylphenyl)acetamide

2-(4-methylquinolin-2-yl)sulfanyl-N-(4-piperidin-1-ylphenyl)acetamide (PubChem CID 2401714) has the molecular formula C23H25N3OS and a molecular weight of 391.54 g/mol. Its IUPAC name is 2-(4-methylquinolin-2-yl)sulfanyl-N-(4-piperidin-1-ylphenyl)acetamide.

Molecular Properties

Compound Name2-(4-methylquinolin-2-yl)sulfanyl-N-(4-piperidin-1-ylphenyl)acetamide
PubChem CID2401714
Molecular FormulaC23H25N3OS
Molecular Weight391.54 g/mol
Exact Mass391.17
IUPAC Name2-(4-methylquinolin-2-yl)sulfanyl-N-(4-piperidin-1-ylphenyl)acetamide
SMILESCc1cc(SCC(=O)Nc2ccc(N3CCCCC3)cc2)nc2ccccc12
InChIInChI=1S/C23H25N3OS/c1-17-15-23(25-21-8-4-3-7-20(17)21)28-16-22(27)24-18-9-11-19(12-10-18)26-13-5-2-6-14-26/h3-4,7-12,15H,2,5-6,13-14,16H2,1H3,(H,24,27)
InChIKeyUBDYYXBQNDHNCQ-UHFFFAOYSA-N
XLogP5.26
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.54
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

4-[[2-(4-methylquinolin-2-yl)sulfanylacetyl]amino]benzoic acid
CID 22695352
N-(9,10-dioxoanthracen-2-yl)-2-(4-methylquinolin-2-yl)sulfanylacetamide
CID 5034835
N-(2,6-dichlorophenyl)-2-(4-methylquinolin-2-yl)sulfanylacetamide
CID 9107262
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-methylquinolin-2-yl)sulfanylacetamide
CID 1186716
2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-(4-piperidin-1-ylphenyl)acetamide
CID 7858126
N-(2,6-difluorophenyl)-2-(4-methylquinolin-2-yl)sulfanylacetamide
CID 4800101
N-[4-(azepan-1-yl)phenyl]-2-quinolin-4-ylsulfanylacetamide
CID 56583690
N-(3-cyanophenyl)-2-(4-methylquinolin-2-yl)sulfanylacetamide
CID 4798917
N-(5-methyl-1,2-oxazol-3-yl)-2-(4-methylquinolin-2-yl)sulfanylacetamide
CID 2430340
N-(2-fluorophenyl)-2-(4-methylquinolin-2-yl)sulfanylacetamide
CID 755909
N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-(4-methylquinolin-2-yl)sulfanylacetamide
CID 4691292
2-[2-[[2-(4-methylquinolin-2-yl)sulfanylacetyl]amino]-1,3-thiazol-4-yl]-N-phenylacetamide
CID 1373327

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylquinolin-2-yl)sulfanyl-N-(4-piperidin-1-ylphenyl)acetamide?
The IUPAC name of 2-(4-methylquinolin-2-yl)sulfanyl-N-(4-piperidin-1-ylphenyl)acetamide (CID 2401714) is 2-(4-methylquinolin-2-yl)sulfanyl-N-(4-piperidin-1-ylphenyl)acetamide.
What is the SMILES notation for 2-(4-methylquinolin-2-yl)sulfanyl-N-(4-piperidin-1-ylphenyl)acetamide?
The canonical SMILES for 2-(4-methylquinolin-2-yl)sulfanyl-N-(4-piperidin-1-ylphenyl)acetamide is Cc1cc(SCC(=O)Nc2ccc(N3CCCCC3)cc2)nc2ccccc12.
What is the InChIKey of 2-(4-methylquinolin-2-yl)sulfanyl-N-(4-piperidin-1-ylphenyl)acetamide?
The InChIKey is UBDYYXBQNDHNCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3OS/c1-17-15-23(25-21-8-4-3-7-20(17)21)28-16-22(27)24-18-9-11-19(12-10-18)26-13-5-2-6-14-26/h3-4,7-12,15H,2,5-6,13-14,16H2,1H3,(H,24,27).
What are the key properties of 2-(4-methylquinolin-2-yl)sulfanyl-N-(4-piperidin-1-ylphenyl)acetamide?
2-(4-methylquinolin-2-yl)sulfanyl-N-(4-piperidin-1-ylphenyl)acetamide has a molecular weight of 391.54 g/mol, XLogP of 5.26, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylquinolin-2-yl)sulfanyl-N-(4-piperidin-1-ylphenyl)acetamide is sourced from PubChem (CID 2401714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).