N-(3-methylsulfanylphenyl)-2-(2-piperidin-1-ylanilino)acetamide

C20H25N3OS — CID 9100145

IUPACN-(3-methylsulfanylphenyl)-2-(2-piperidin-1-ylanilino)acetamide
SMILESCSc1cccc(NC(=O)CNc2ccccc2N2CCCCC2)c1
InChIInChI=1S/C20H25N3OS/c1-25-17-9-7-8-16(14-17)22-20(24)15-21-18-10-3-4-11-19(18)23-12-5-2-6-13-23/h3-4,7-11,14,21H,2,5-6,12-13,15H2,1H3,(H,22,24)
InChIKeySSDVHRFXTCFWBV-UHFFFAOYSA-N
MW355.51 g/mol
LogP4.45
Rot. Bonds6

About N-(3-methylsulfanylphenyl)-2-(2-piperidin-1-ylanilino)acetamide

N-(3-methylsulfanylphenyl)-2-(2-piperidin-1-ylanilino)acetamide (PubChem CID 9100145) has the molecular formula C20H25N3OS and a molecular weight of 355.51 g/mol. Its IUPAC name is N-(3-methylsulfanylphenyl)-2-(2-piperidin-1-ylanilino)acetamide.

Molecular Properties

Compound NameN-(3-methylsulfanylphenyl)-2-(2-piperidin-1-ylanilino)acetamide
PubChem CID9100145
Molecular FormulaC20H25N3OS
Molecular Weight355.51 g/mol
Exact Mass355.17
IUPAC NameN-(3-methylsulfanylphenyl)-2-(2-piperidin-1-ylanilino)acetamide
SMILESCSc1cccc(NC(=O)CNc2ccccc2N2CCCCC2)c1
InChIInChI=1S/C20H25N3OS/c1-25-17-9-7-8-16(14-17)22-20(24)15-21-18-10-3-4-11-19(18)23-12-5-2-6-13-23/h3-4,7-11,14,21H,2,5-6,12-13,15H2,1H3,(H,22,24)
InChIKeySSDVHRFXTCFWBV-UHFFFAOYSA-N
XLogP4.45
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.51
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-naphthalen-2-yl-2-(2-piperidin-1-ylanilino)acetamide
CID 9100114
N-(3-chloro-4-fluorophenyl)-2-(2-piperidin-1-ylanilino)acetamide
CID 9100097
2-(2-piperidin-1-ylanilino)-N-(2,4,6-trimethylphenyl)acetamide
CID 9100126
2-anilino-N-(2-pyrrolidin-1-ylphenyl)acetamide
CID 119399959
N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-2-(2-piperidin-1-ylanilino)acetamide
CID 26539721
2-(2-morpholin-4-ylanilino)-N-(4-piperidin-1-ylphenyl)acetamide
CID 109010529
2-methyl-5-methylsulfanyl-N-(2-piperidin-1-ylphenyl)benzamide
CID 37172830
2-[2-(azepan-1-yl)anilino]-N-(tert-butylcarbamoyl)acetamide
CID 36588357
2-(4-methylphenyl)sulfanyl-N-(3-methylsulfanylphenyl)acetamide
CID 738709
2-[2-(azepan-1-yl)anilino]-N-cyclopropylacetamide
CID 25349530
2-(tert-butylamino)-N-(2-piperidin-1-ylphenyl)acetamide
CID 78987037
1-(1,3-dimethyl-2-oxo-6-pyrrolidin-1-ylbenzimidazol-5-yl)-3-(3-methylsulfanylphenyl)urea
CID 50792008

Frequently Asked Questions

What is the IUPAC name of N-(3-methylsulfanylphenyl)-2-(2-piperidin-1-ylanilino)acetamide?
The IUPAC name of N-(3-methylsulfanylphenyl)-2-(2-piperidin-1-ylanilino)acetamide (CID 9100145) is N-(3-methylsulfanylphenyl)-2-(2-piperidin-1-ylanilino)acetamide.
What is the SMILES notation for N-(3-methylsulfanylphenyl)-2-(2-piperidin-1-ylanilino)acetamide?
The canonical SMILES for N-(3-methylsulfanylphenyl)-2-(2-piperidin-1-ylanilino)acetamide is CSc1cccc(NC(=O)CNc2ccccc2N2CCCCC2)c1.
What is the InChIKey of N-(3-methylsulfanylphenyl)-2-(2-piperidin-1-ylanilino)acetamide?
The InChIKey is SSDVHRFXTCFWBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3OS/c1-25-17-9-7-8-16(14-17)22-20(24)15-21-18-10-3-4-11-19(18)23-12-5-2-6-13-23/h3-4,7-11,14,21H,2,5-6,12-13,15H2,1H3,(H,22,24).
What are the key properties of N-(3-methylsulfanylphenyl)-2-(2-piperidin-1-ylanilino)acetamide?
N-(3-methylsulfanylphenyl)-2-(2-piperidin-1-ylanilino)acetamide has a molecular weight of 355.51 g/mol, XLogP of 4.45, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylsulfanylphenyl)-2-(2-piperidin-1-ylanilino)acetamide is sourced from PubChem (CID 9100145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).