2-(1-amino-4-phenylimidazol-2-yl)sulfanyl-N-(1-benzylpiperidin-4-yl)acetamide

C23H27N5OS — CID 16610716

IUPAC2-(1-amino-4-phenylimidazol-2-yl)sulfanyl-N-(1-benzylpiperidin-4-yl)acetamide
SMILESNn1cc(-c2ccccc2)nc1SCC(=O)NC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C23H27N5OS/c24-28-16-21(19-9-5-2-6-10-19)26-23(28)30-17-22(29)25-20-11-13-27(14-12-20)15-18-7-3-1-4-8-18/h1-10,16,20H,11-15,17,24H2,(H,25,29)
InChIKeyYNATZEOBAWRUHF-UHFFFAOYSA-N
MW421.57 g/mol
LogP3.14
Rot. Bonds7

About 2-(1-amino-4-phenylimidazol-2-yl)sulfanyl-N-(1-benzylpiperidin-4-yl)acetamide

2-(1-amino-4-phenylimidazol-2-yl)sulfanyl-N-(1-benzylpiperidin-4-yl)acetamide (PubChem CID 16610716) has the molecular formula C23H27N5OS and a molecular weight of 421.57 g/mol. Its IUPAC name is 2-(1-amino-4-phenylimidazol-2-yl)sulfanyl-N-(1-benzylpiperidin-4-yl)acetamide.

Molecular Properties

Compound Name2-(1-amino-4-phenylimidazol-2-yl)sulfanyl-N-(1-benzylpiperidin-4-yl)acetamide
PubChem CID16610716
Molecular FormulaC23H27N5OS
Molecular Weight421.57 g/mol
Exact Mass421.19
IUPAC Name2-(1-amino-4-phenylimidazol-2-yl)sulfanyl-N-(1-benzylpiperidin-4-yl)acetamide
SMILESNn1cc(-c2ccccc2)nc1SCC(=O)NC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C23H27N5OS/c24-28-16-21(19-9-5-2-6-10-19)26-23(28)30-17-22(29)25-20-11-13-27(14-12-20)15-18-7-3-1-4-8-18/h1-10,16,20H,11-15,17,24H2,(H,25,29)
InChIKeyYNATZEOBAWRUHF-UHFFFAOYSA-N
XLogP3.14
TPSA76.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.57
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1-benzylpiperidin-4-yl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide
CID 8594554
N-(1-benzylpiperidin-4-yl)-2-(1-methylimidazol-2-yl)sulfanylacetamide
CID 39082571
N-(1-benzylpiperidin-4-yl)-6-phenylpyridine-2-carboxamide
CID 117082142
N-(1-benzylpiperidin-4-yl)-2-(2-methylphenyl)sulfanylacetamide
CID 26691346
2-(1-benzyl-4,5-diphenylimidazol-2-yl)sulfanyl-N-cyclopropylacetamide
CID 18269176
N-(1-benzylpiperidin-4-yl)-2-(1-cyclopropyltetrazol-5-yl)sulfanylacetamide
CID 9204401
N-(1-benzylpiperidin-4-yl)-2-[[4-methyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 167761111
N-(1-benzylpiperidin-4-yl)-2-(2,4,6-trimethylphenyl)sulfanylacetamide
CID 8682410
2-(1-amino-4-phenylimidazol-2-yl)sulfanyl-N-(3,5-difluorophenyl)acetamide
CID 47015745
2-[(4-amino-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(1-benzylpiperidin-4-yl)acetamide
CID 16610753
N-(1-benzylpiperidin-4-yl)-2-(2-phenyl-1,3-oxazol-4-yl)acetamide
CID 38548867
2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(1-benzylpyrrolidin-3-yl)acetamide
CID 24674910

Frequently Asked Questions

What is the IUPAC name of 2-(1-amino-4-phenylimidazol-2-yl)sulfanyl-N-(1-benzylpiperidin-4-yl)acetamide?
The IUPAC name of 2-(1-amino-4-phenylimidazol-2-yl)sulfanyl-N-(1-benzylpiperidin-4-yl)acetamide (CID 16610716) is 2-(1-amino-4-phenylimidazol-2-yl)sulfanyl-N-(1-benzylpiperidin-4-yl)acetamide.
What is the SMILES notation for 2-(1-amino-4-phenylimidazol-2-yl)sulfanyl-N-(1-benzylpiperidin-4-yl)acetamide?
The canonical SMILES for 2-(1-amino-4-phenylimidazol-2-yl)sulfanyl-N-(1-benzylpiperidin-4-yl)acetamide is Nn1cc(-c2ccccc2)nc1SCC(=O)NC1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 2-(1-amino-4-phenylimidazol-2-yl)sulfanyl-N-(1-benzylpiperidin-4-yl)acetamide?
The InChIKey is YNATZEOBAWRUHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5OS/c24-28-16-21(19-9-5-2-6-10-19)26-23(28)30-17-22(29)25-20-11-13-27(14-12-20)15-18-7-3-1-4-8-18/h1-10,16,20H,11-15,17,24H2,(H,25,29).
What are the key properties of 2-(1-amino-4-phenylimidazol-2-yl)sulfanyl-N-(1-benzylpiperidin-4-yl)acetamide?
2-(1-amino-4-phenylimidazol-2-yl)sulfanyl-N-(1-benzylpiperidin-4-yl)acetamide has a molecular weight of 421.57 g/mol, XLogP of 3.14, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-amino-4-phenylimidazol-2-yl)sulfanyl-N-(1-benzylpiperidin-4-yl)acetamide is sourced from PubChem (CID 16610716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).