4-[[4-methylsulfanyl-2-[(2-phenoxyacetyl)amino]butanoyl]amino]-N-phenylpiperidine-1-carboxamide

C25H32N4O4S — CID 46700486

IUPAC4-[[4-methylsulfanyl-2-[(2-phenoxyacetyl)amino]butanoyl]amino]-N-phenylpiperidine-1-carboxamide
SMILESCSCCC(NC(=O)COc1ccccc1)C(=O)NC1CCN(C(=O)Nc2ccccc2)CC1
InChIInChI=1S/C25H32N4O4S/c1-34-17-14-22(28-23(30)18-33-21-10-6-3-7-11-21)24(31)26-20-12-15-29(16-13-20)25(32)27-19-8-4-2-5-9-19/h2-11,20,22H,12-18H2,1H3,(H,26,31)(H,27,32)(H,28,30)
InChIKeyYMIFJQOXRMECMG-UHFFFAOYSA-N
MW484.62 g/mol
LogP3.12
Rot. Bonds10

About 4-[[4-methylsulfanyl-2-[(2-phenoxyacetyl)amino]butanoyl]amino]-N-phenylpiperidine-1-carboxamide

4-[[4-methylsulfanyl-2-[(2-phenoxyacetyl)amino]butanoyl]amino]-N-phenylpiperidine-1-carboxamide (PubChem CID 46700486) has the molecular formula C25H32N4O4S and a molecular weight of 484.62 g/mol. Its IUPAC name is 4-[[4-methylsulfanyl-2-[(2-phenoxyacetyl)amino]butanoyl]amino]-N-phenylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-[[4-methylsulfanyl-2-[(2-phenoxyacetyl)amino]butanoyl]amino]-N-phenylpiperidine-1-carboxamide
PubChem CID46700486
Molecular FormulaC25H32N4O4S
Molecular Weight484.62 g/mol
Exact Mass484.21
IUPAC Name4-[[4-methylsulfanyl-2-[(2-phenoxyacetyl)amino]butanoyl]amino]-N-phenylpiperidine-1-carboxamide
SMILESCSCCC(NC(=O)COc1ccccc1)C(=O)NC1CCN(C(=O)Nc2ccccc2)CC1
InChIInChI=1S/C25H32N4O4S/c1-34-17-14-22(28-23(30)18-33-21-10-6-3-7-11-21)24(31)26-20-12-15-29(16-13-20)25(32)27-19-8-4-2-5-9-19/h2-11,20,22H,12-18H2,1H3,(H,26,31)(H,27,32)(H,28,30)
InChIKeyYMIFJQOXRMECMG-UHFFFAOYSA-N
XLogP3.12
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.62
LogP ≤ 53.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-[[4-methylsulfanyl-2-[(2-phenoxyacetyl)amino]butanoyl]amino]-N-phenylpiperidine-1-carboxamide with MolForge

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Related Compounds

N-(4-aminocyclohexyl)-4-methylsulfanyl-2-[(2-phenoxyacetyl)amino]butanamide
CID 119478059
1-[4-methylsulfanyl-2-[(2-phenoxyacetyl)amino]butanoyl]pyrrolidine-3-carboxylic acid
CID 119355151
N-(4-ethoxyphenyl)-4-methylsulfanyl-2-[(2-phenoxyacetyl)amino]butanamide
CID 24638591
N-phenyl-4-[[2-(4-propoxyphenoxy)acetyl]amino]piperidine-1-carboxamide
CID 55501742
N-(4-tert-butylphenyl)-4-methylsulfanyl-2-[(2-phenoxyacetyl)amino]butanamide
CID 24639191
N-(4-methylsulfanyl-1-oxo-1-piperidin-1-ylbutan-2-yl)-2-phenoxyacetamide
CID 24820045
N-[1-[3-(1-aminoethyl)piperidin-1-yl]-4-methylsulfanyl-1-oxobutan-2-yl]-2-phenoxyacetamide;hydrochloride
CID 119595934
(2R)-4-methylsulfanyl-2-[(2-phenoxyacetyl)amino]-N-(4-sulfamoylphenyl)butanamide
CID 32694138
4-(4-phenoxybutanoylamino)-N-phenylpiperidine-1-carboxamide
CID 51324376
N-(4-butylphenyl)-4-methylsulfanyl-2-[(2-phenoxyacetyl)amino]butanamide
CID 42997971
(2R)-4-methylsulfanyl-2-[(2-phenoxyacetyl)amino]-N-[3-(trifluoromethyl)phenyl]butanamide
CID 34754046
N-[(2S)-1-(2-benzoylhydrazinyl)-4-methylsulfanyl-1-oxobutan-2-yl]-2-phenoxyacetamide
CID 7969182

Frequently Asked Questions

What is the IUPAC name of 4-[[4-methylsulfanyl-2-[(2-phenoxyacetyl)amino]butanoyl]amino]-N-phenylpiperidine-1-carboxamide?
The IUPAC name of 4-[[4-methylsulfanyl-2-[(2-phenoxyacetyl)amino]butanoyl]amino]-N-phenylpiperidine-1-carboxamide (CID 46700486) is 4-[[4-methylsulfanyl-2-[(2-phenoxyacetyl)amino]butanoyl]amino]-N-phenylpiperidine-1-carboxamide.
What is the SMILES notation for 4-[[4-methylsulfanyl-2-[(2-phenoxyacetyl)amino]butanoyl]amino]-N-phenylpiperidine-1-carboxamide?
The canonical SMILES for 4-[[4-methylsulfanyl-2-[(2-phenoxyacetyl)amino]butanoyl]amino]-N-phenylpiperidine-1-carboxamide is CSCCC(NC(=O)COc1ccccc1)C(=O)NC1CCN(C(=O)Nc2ccccc2)CC1.
What is the InChIKey of 4-[[4-methylsulfanyl-2-[(2-phenoxyacetyl)amino]butanoyl]amino]-N-phenylpiperidine-1-carboxamide?
The InChIKey is YMIFJQOXRMECMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O4S/c1-34-17-14-22(28-23(30)18-33-21-10-6-3-7-11-21)24(31)26-20-12-15-29(16-13-20)25(32)27-19-8-4-2-5-9-19/h2-11,20,22H,12-18H2,1H3,(H,26,31)(H,27,32)(H,28,30).
What are the key properties of 4-[[4-methylsulfanyl-2-[(2-phenoxyacetyl)amino]butanoyl]amino]-N-phenylpiperidine-1-carboxamide?
4-[[4-methylsulfanyl-2-[(2-phenoxyacetyl)amino]butanoyl]amino]-N-phenylpiperidine-1-carboxamide has a molecular weight of 484.62 g/mol, XLogP of 3.12, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-methylsulfanyl-2-[(2-phenoxyacetyl)amino]butanoyl]amino]-N-phenylpiperidine-1-carboxamide is sourced from PubChem (CID 46700486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).