2-(1-amino-4-phenylimidazol-2-yl)sulfanyl-N-pentan-2-ylacetamide

C16H22N4OS — CID 3430647

IUPAC2-(1-amino-4-phenylimidazol-2-yl)sulfanyl-N-pentan-2-ylacetamide
SMILESCCCC(C)NC(=O)CSc1nc(-c2ccccc2)cn1N
InChIInChI=1S/C16H22N4OS/c1-3-7-12(2)18-15(21)11-22-16-19-14(10-20(16)17)13-8-5-4-6-9-13/h4-6,8-10,12H,3,7,11,17H2,1-2H3,(H,18,21)
InChIKeyPLPCLAOEGGMJPZ-UHFFFAOYSA-N
MW318.45 g/mol
LogP2.66
Rot. Bonds7

About 2-(1-amino-4-phenylimidazol-2-yl)sulfanyl-N-pentan-2-ylacetamide

2-(1-amino-4-phenylimidazol-2-yl)sulfanyl-N-pentan-2-ylacetamide (PubChem CID 3430647) has the molecular formula C16H22N4OS and a molecular weight of 318.45 g/mol. Its IUPAC name is 2-(1-amino-4-phenylimidazol-2-yl)sulfanyl-N-pentan-2-ylacetamide.

Molecular Properties

Compound Name2-(1-amino-4-phenylimidazol-2-yl)sulfanyl-N-pentan-2-ylacetamide
PubChem CID3430647
Molecular FormulaC16H22N4OS
Molecular Weight318.45 g/mol
Exact Mass318.15
IUPAC Name2-(1-amino-4-phenylimidazol-2-yl)sulfanyl-N-pentan-2-ylacetamide
SMILESCCCC(C)NC(=O)CSc1nc(-c2ccccc2)cn1N
InChIInChI=1S/C16H22N4OS/c1-3-7-12(2)18-15(21)11-22-16-19-14(10-20(16)17)13-8-5-4-6-9-13/h4-6,8-10,12H,3,7,11,17H2,1-2H3,(H,18,21)
InChIKeyPLPCLAOEGGMJPZ-UHFFFAOYSA-N
XLogP2.66
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.45
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1-amino-4-phenylimidazol-2-yl)sulfanyl-N-pentan-2-ylacetamide?
The IUPAC name of 2-(1-amino-4-phenylimidazol-2-yl)sulfanyl-N-pentan-2-ylacetamide (CID 3430647) is 2-(1-amino-4-phenylimidazol-2-yl)sulfanyl-N-pentan-2-ylacetamide.
What is the SMILES notation for 2-(1-amino-4-phenylimidazol-2-yl)sulfanyl-N-pentan-2-ylacetamide?
The canonical SMILES for 2-(1-amino-4-phenylimidazol-2-yl)sulfanyl-N-pentan-2-ylacetamide is CCCC(C)NC(=O)CSc1nc(-c2ccccc2)cn1N.
What is the InChIKey of 2-(1-amino-4-phenylimidazol-2-yl)sulfanyl-N-pentan-2-ylacetamide?
The InChIKey is PLPCLAOEGGMJPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4OS/c1-3-7-12(2)18-15(21)11-22-16-19-14(10-20(16)17)13-8-5-4-6-9-13/h4-6,8-10,12H,3,7,11,17H2,1-2H3,(H,18,21).
What are the key properties of 2-(1-amino-4-phenylimidazol-2-yl)sulfanyl-N-pentan-2-ylacetamide?
2-(1-amino-4-phenylimidazol-2-yl)sulfanyl-N-pentan-2-ylacetamide has a molecular weight of 318.45 g/mol, XLogP of 2.66, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-amino-4-phenylimidazol-2-yl)sulfanyl-N-pentan-2-ylacetamide is sourced from PubChem (CID 3430647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).