N-(4-tert-butylsulfanylphenyl)-2-imidazol-1-ylacetamide

C15H19N3OS — CID 134220500

IUPACN-(4-tert-butylsulfanylphenyl)-2-imidazol-1-ylacetamide
SMILESCC(C)(C)Sc1ccc(NC(=O)Cn2ccnc2)cc1
InChIInChI=1S/C15H19N3OS/c1-15(2,3)20-13-6-4-12(5-7-13)17-14(19)10-18-9-8-16-11-18/h4-9,11H,10H2,1-3H3,(H,17,19)
InChIKeyFWXAVPABAPXWOA-UHFFFAOYSA-N
MW289.40 g/mol
LogP3.41
Rot. Bonds4

About N-(4-tert-butylsulfanylphenyl)-2-imidazol-1-ylacetamide

N-(4-tert-butylsulfanylphenyl)-2-imidazol-1-ylacetamide (PubChem CID 134220500) has the molecular formula C15H19N3OS and a molecular weight of 289.40 g/mol. Its IUPAC name is N-(4-tert-butylsulfanylphenyl)-2-imidazol-1-ylacetamide.

Molecular Properties

Compound NameN-(4-tert-butylsulfanylphenyl)-2-imidazol-1-ylacetamide
PubChem CID134220500
Molecular FormulaC15H19N3OS
Molecular Weight289.40 g/mol
Exact Mass289.12
IUPAC NameN-(4-tert-butylsulfanylphenyl)-2-imidazol-1-ylacetamide
SMILESCC(C)(C)Sc1ccc(NC(=O)Cn2ccnc2)cc1
InChIInChI=1S/C15H19N3OS/c1-15(2,3)20-13-6-4-12(5-7-13)17-14(19)10-18-9-8-16-11-18/h4-9,11H,10H2,1-3H3,(H,17,19)
InChIKeyFWXAVPABAPXWOA-UHFFFAOYSA-N
XLogP3.41
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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3-imidazol-1-yl-N-phenylbutanamide
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N-[4-(difluoromethylsulfanyl)phenyl]-2-(1-methylimidazol-2-yl)sulfanylacetamide
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2-(1-Methyl-1H-imidazol-2-ylsulfanyl)-N-phenyl-acetamide
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US8980932, 4a (DH296)
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N-{4-[(4-methyl-1H-imidazol-1-yl)sulfonyl]phenyl}acetamide
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2-(1-methylimidazol-2-yl)sulfanyl-N-(3-methylphenyl)acetamide
CID 712610
N-(3-ethylphenyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide
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2-[(1-Cyclopentyl-1H-imidazol-2-YL)sulfanyl]-N-(3-fluorophenyl)acetamide
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2-(2-methyl-5-nitro-1H-imidazol-1-yl)-N-[2-(methylsulfanyl)phenyl]acetamide
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Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylsulfanylphenyl)-2-imidazol-1-ylacetamide?
The IUPAC name of N-(4-tert-butylsulfanylphenyl)-2-imidazol-1-ylacetamide (CID 134220500) is N-(4-tert-butylsulfanylphenyl)-2-imidazol-1-ylacetamide.
What is the SMILES notation for N-(4-tert-butylsulfanylphenyl)-2-imidazol-1-ylacetamide?
The canonical SMILES for N-(4-tert-butylsulfanylphenyl)-2-imidazol-1-ylacetamide is CC(C)(C)Sc1ccc(NC(=O)Cn2ccnc2)cc1.
What is the InChIKey of N-(4-tert-butylsulfanylphenyl)-2-imidazol-1-ylacetamide?
The InChIKey is FWXAVPABAPXWOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3OS/c1-15(2,3)20-13-6-4-12(5-7-13)17-14(19)10-18-9-8-16-11-18/h4-9,11H,10H2,1-3H3,(H,17,19).
What are the key properties of N-(4-tert-butylsulfanylphenyl)-2-imidazol-1-ylacetamide?
N-(4-tert-butylsulfanylphenyl)-2-imidazol-1-ylacetamide has a molecular weight of 289.40 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylsulfanylphenyl)-2-imidazol-1-ylacetamide is sourced from PubChem (CID 134220500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).