1-[2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]-N-phenylpiperidine-3-carboxamide

C25H28N4O2S — CID 46662453

IUPAC1-[2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]-N-phenylpiperidine-3-carboxamide
SMILESCc1cccc(-n2ccnc2SCC(=O)N2CCCC(C(=O)Nc3ccccc3)C2)c1C
InChIInChI=1S/C25H28N4O2S/c1-18-8-6-12-22(19(18)2)29-15-13-26-25(29)32-17-23(30)28-14-7-9-20(16-28)24(31)27-21-10-4-3-5-11-21/h3-6,8,10-13,15,20H,7,9,14,16-17H2,1-2H3,(H,27,31)
InChIKeyIHWDZKWYOHYHQR-UHFFFAOYSA-N
MW448.59 g/mol
LogP4.46
Rot. Bonds6

About 1-[2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]-N-phenylpiperidine-3-carboxamide

1-[2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]-N-phenylpiperidine-3-carboxamide (PubChem CID 46662453) has the molecular formula C25H28N4O2S and a molecular weight of 448.59 g/mol. Its IUPAC name is 1-[2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]-N-phenylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-[2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]-N-phenylpiperidine-3-carboxamide
PubChem CID46662453
Molecular FormulaC25H28N4O2S
Molecular Weight448.59 g/mol
Exact Mass448.19
IUPAC Name1-[2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]-N-phenylpiperidine-3-carboxamide
SMILESCc1cccc(-n2ccnc2SCC(=O)N2CCCC(C(=O)Nc3ccccc3)C2)c1C
InChIInChI=1S/C25H28N4O2S/c1-18-8-6-12-22(19(18)2)29-15-13-26-25(29)32-17-23(30)28-14-7-9-20(16-28)24(31)27-21-10-4-3-5-11-21/h3-6,8,10-13,15,20H,7,9,14,16-17H2,1-2H3,(H,27,31)
InChIKeyIHWDZKWYOHYHQR-UHFFFAOYSA-N
XLogP4.46
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.59
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 55957436
1-(4-benzoylpiperazin-1-yl)-2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanylethanone
CID 39757846
2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanyl-1-[(2R)-2-methylmorpholin-4-yl]ethanone
CID 41460013
(3S)-3-N-(2,3-dimethylphenyl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 7206111
1-[2-[1-(4-bromophenyl)imidazol-2-yl]sulfanylacetyl]-N-phenylpiperidine-4-carboxamide
CID 24571532
1-[2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylacetyl]piperidine-4-carboxamide
CID 39754957
2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanyl-N-pyridin-3-ylacetamide
CID 39761133
2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanyl-1-[2-(3-methoxyphenyl)pyrrolidin-1-yl]ethanone
CID 46700042
(3S)-1-(3,3-diphenylpropanoyl)-N-phenylpiperidine-3-carboxamide
CID 27745627
1-(2-methylbenzoyl)-N-phenylpiperidine-3-carboxamide
CID 17395315
1-(3-aminobutanoyl)-N-phenylpiperidine-3-carboxamide
CID 119697874
(3S)-3-N-(4-methylphenyl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 9071786

Frequently Asked Questions

What is the IUPAC name of 1-[2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]-N-phenylpiperidine-3-carboxamide?
The IUPAC name of 1-[2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]-N-phenylpiperidine-3-carboxamide (CID 46662453) is 1-[2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]-N-phenylpiperidine-3-carboxamide.
What is the SMILES notation for 1-[2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]-N-phenylpiperidine-3-carboxamide?
The canonical SMILES for 1-[2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]-N-phenylpiperidine-3-carboxamide is Cc1cccc(-n2ccnc2SCC(=O)N2CCCC(C(=O)Nc3ccccc3)C2)c1C.
What is the InChIKey of 1-[2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]-N-phenylpiperidine-3-carboxamide?
The InChIKey is IHWDZKWYOHYHQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O2S/c1-18-8-6-12-22(19(18)2)29-15-13-26-25(29)32-17-23(30)28-14-7-9-20(16-28)24(31)27-21-10-4-3-5-11-21/h3-6,8,10-13,15,20H,7,9,14,16-17H2,1-2H3,(H,27,31).
What are the key properties of 1-[2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]-N-phenylpiperidine-3-carboxamide?
1-[2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]-N-phenylpiperidine-3-carboxamide has a molecular weight of 448.59 g/mol, XLogP of 4.46, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]-N-phenylpiperidine-3-carboxamide is sourced from PubChem (CID 46662453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).