N-[4-(4-methylsulfanylanilino)phenyl]-2-piperidin-1-ylacetamide

C20H25N3OS — CID 169412134

IUPACN-[4-(4-methylsulfanylanilino)phenyl]-2-piperidin-1-ylacetamide
SMILESCSc1ccc(Nc2ccc(NC(=O)CN3CCCCC3)cc2)cc1
InChIInChI=1S/C20H25N3OS/c1-25-19-11-9-17(10-12-19)21-16-5-7-18(8-6-16)22-20(24)15-23-13-3-2-4-14-23/h5-12,21H,2-4,13-15H2,1H3,(H,22,24)
InChIKeyIPHZZFPJAGKXFS-UHFFFAOYSA-N
MW355.51 g/mol
LogP4.58
Rot. Bonds6

About N-[4-(4-methylsulfanylanilino)phenyl]-2-piperidin-1-ylacetamide

N-[4-(4-methylsulfanylanilino)phenyl]-2-piperidin-1-ylacetamide (PubChem CID 169412134) has the molecular formula C20H25N3OS and a molecular weight of 355.51 g/mol. Its IUPAC name is N-[4-(4-methylsulfanylanilino)phenyl]-2-piperidin-1-ylacetamide.

Molecular Properties

Compound NameN-[4-(4-methylsulfanylanilino)phenyl]-2-piperidin-1-ylacetamide
PubChem CID169412134
Molecular FormulaC20H25N3OS
Molecular Weight355.51 g/mol
Exact Mass355.17
IUPAC NameN-[4-(4-methylsulfanylanilino)phenyl]-2-piperidin-1-ylacetamide
SMILESCSc1ccc(Nc2ccc(NC(=O)CN3CCCCC3)cc2)cc1
InChIInChI=1S/C20H25N3OS/c1-25-19-11-9-17(10-12-19)21-16-5-7-18(8-6-16)22-20(24)15-23-13-3-2-4-14-23/h5-12,21H,2-4,13-15H2,1H3,(H,22,24)
InChIKeyIPHZZFPJAGKXFS-UHFFFAOYSA-N
XLogP4.58
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 ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-pyrrolidin-1-yl-N-[4-[4-[(2-pyrrolidin-1-ylacetyl)amino]phenyl]sulfanylphenyl]acetamide
CID 53323507
N-[4-[[2-(azepan-1-yl)acetyl]amino]phenyl]propanamide
CID 54814408
N-[4-[[2-(azocan-1-yl)acetyl]amino]phenyl]-2-(methylamino)acetamide;hydrochloride
CID 120704274
N-[4-[[2-(azepan-1-yl)acetyl]amino]phenyl]-2-methylpropanamide
CID 54814594
3-methyl-N-[4-[(2-piperidin-1-ylacetyl)amino]phenyl]butanamide
CID 54815187
methyl 4-[(2-piperidin-1-ylacetyl)amino]benzoate
CID 566860
2,2-dimethyl-N-[4-[(2-pyrrolidin-1-ylacetyl)amino]phenyl]propanamide
CID 858395
2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(4-methylsulfanylphenyl)acetamide
CID 18126812
2-pyrrolidin-1-yl-N-[4-[4-[(2-pyrrolidin-1-ylacetyl)amino]phenoxy]phenyl]acetamide
CID 647483
N-(4-cyanophenyl)-2-piperidin-1-ylacetamide
CID 2697414
2-(azepan-1-yl)-N-(3,4-dimethylphenyl)acetamide
CID 8895959
methyl 4-[(2-pyrrolidin-1-ylacetyl)amino]benzoate
CID 558416

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methylsulfanylanilino)phenyl]-2-piperidin-1-ylacetamide?
The IUPAC name of N-[4-(4-methylsulfanylanilino)phenyl]-2-piperidin-1-ylacetamide (CID 169412134) is N-[4-(4-methylsulfanylanilino)phenyl]-2-piperidin-1-ylacetamide.
What is the SMILES notation for N-[4-(4-methylsulfanylanilino)phenyl]-2-piperidin-1-ylacetamide?
The canonical SMILES for N-[4-(4-methylsulfanylanilino)phenyl]-2-piperidin-1-ylacetamide is CSc1ccc(Nc2ccc(NC(=O)CN3CCCCC3)cc2)cc1.
What is the InChIKey of N-[4-(4-methylsulfanylanilino)phenyl]-2-piperidin-1-ylacetamide?
The InChIKey is IPHZZFPJAGKXFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3OS/c1-25-19-11-9-17(10-12-19)21-16-5-7-18(8-6-16)22-20(24)15-23-13-3-2-4-14-23/h5-12,21H,2-4,13-15H2,1H3,(H,22,24).
What are the key properties of N-[4-(4-methylsulfanylanilino)phenyl]-2-piperidin-1-ylacetamide?
N-[4-(4-methylsulfanylanilino)phenyl]-2-piperidin-1-ylacetamide has a molecular weight of 355.51 g/mol, XLogP of 4.58, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methylsulfanylanilino)phenyl]-2-piperidin-1-ylacetamide is sourced from PubChem (CID 169412134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).