2-[(4-butyl-5-methyl-1H-imidazol-2-yl)sulfanyl]-N-(1-phenylethyl)acetamide

C18H25N3OS — CID 5305859

IUPAC2-[(4-butyl-5-methyl-1H-imidazol-2-yl)sulfanyl]-N-(1-phenylethyl)acetamide
SMILESCCCCc1nc(SCC(=O)NC(C)c2ccccc2)[nH]c1C
InChIInChI=1S/C18H25N3OS/c1-4-5-11-16-14(3)20-18(21-16)23-12-17(22)19-13(2)15-9-7-6-8-10-15/h6-10,13H,4-5,11-12H2,1-3H3,(H,19,22)(H,20,21)
InChIKeyHGXSOOMXYKFNDL-UHFFFAOYSA-N
MW331.49 g/mol
LogP4.03
Rot. Bonds8

About 2-[(4-butyl-5-methyl-1H-imidazol-2-yl)sulfanyl]-N-(1-phenylethyl)acetamide

2-[(4-butyl-5-methyl-1H-imidazol-2-yl)sulfanyl]-N-(1-phenylethyl)acetamide (PubChem CID 5305859) has the molecular formula C18H25N3OS and a molecular weight of 331.49 g/mol. Its IUPAC name is 2-[(4-butyl-5-methyl-1H-imidazol-2-yl)sulfanyl]-N-(1-phenylethyl)acetamide.

Molecular Properties

Compound Name2-[(4-butyl-5-methyl-1H-imidazol-2-yl)sulfanyl]-N-(1-phenylethyl)acetamide
PubChem CID5305859
Molecular FormulaC18H25N3OS
Molecular Weight331.49 g/mol
Exact Mass331.17
IUPAC Name2-[(4-butyl-5-methyl-1H-imidazol-2-yl)sulfanyl]-N-(1-phenylethyl)acetamide
SMILESCCCCc1nc(SCC(=O)NC(C)c2ccccc2)[nH]c1C
InChIInChI=1S/C18H25N3OS/c1-4-5-11-16-14(3)20-18(21-16)23-12-17(22)19-13(2)15-9-7-6-8-10-15/h6-10,13H,4-5,11-12H2,1-3H3,(H,19,22)(H,20,21)
InChIKeyHGXSOOMXYKFNDL-UHFFFAOYSA-N
XLogP4.03
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.49
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-butyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(1-phenylethyl)acetamide
CID 136685131
2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]-N-[(1R)-1-phenylethyl]acetamide
CID 135767375
2-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanyl]-N-(3-methylbutan-2-yl)acetamide
CID 42982161
2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-[(1S)-1-phenylethyl]acetamide
CID 7213972
2-(2-methylphenyl)sulfanyl-N-[(1R)-1-phenylethyl]acetamide
CID 9330230
2-(2-methylphenyl)sulfanyl-N-[(1S)-1-phenylethyl]acetamide
CID 9330226
2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[(1R)-1-phenylethyl]acetamide
CID 7028863
2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-N-[(1R)-1-phenylethyl]acetamide
CID 2085290
N-(1-phenylethyl)-2-phenylsulfanylacetamide
CID 2889950
2-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanyl]-N-(2-methylpropylcarbamoyl)acetamide
CID 40524672
2-[(5-methyl-2-pyridinyl)sulfanyl]-N-(1-phenylethyl)acetamide
CID 134007796
N-[(1R)-1-phenylethyl]-2-pyridin-2-ylsulfanylacetamide
CID 684786

Frequently Asked Questions

What is the IUPAC name of 2-[(4-butyl-5-methyl-1H-imidazol-2-yl)sulfanyl]-N-(1-phenylethyl)acetamide?
The IUPAC name of 2-[(4-butyl-5-methyl-1H-imidazol-2-yl)sulfanyl]-N-(1-phenylethyl)acetamide (CID 5305859) is 2-[(4-butyl-5-methyl-1H-imidazol-2-yl)sulfanyl]-N-(1-phenylethyl)acetamide.
What is the SMILES notation for 2-[(4-butyl-5-methyl-1H-imidazol-2-yl)sulfanyl]-N-(1-phenylethyl)acetamide?
The canonical SMILES for 2-[(4-butyl-5-methyl-1H-imidazol-2-yl)sulfanyl]-N-(1-phenylethyl)acetamide is CCCCc1nc(SCC(=O)NC(C)c2ccccc2)[nH]c1C.
What is the InChIKey of 2-[(4-butyl-5-methyl-1H-imidazol-2-yl)sulfanyl]-N-(1-phenylethyl)acetamide?
The InChIKey is HGXSOOMXYKFNDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3OS/c1-4-5-11-16-14(3)20-18(21-16)23-12-17(22)19-13(2)15-9-7-6-8-10-15/h6-10,13H,4-5,11-12H2,1-3H3,(H,19,22)(H,20,21).
What are the key properties of 2-[(4-butyl-5-methyl-1H-imidazol-2-yl)sulfanyl]-N-(1-phenylethyl)acetamide?
2-[(4-butyl-5-methyl-1H-imidazol-2-yl)sulfanyl]-N-(1-phenylethyl)acetamide has a molecular weight of 331.49 g/mol, XLogP of 4.03, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-butyl-5-methyl-1H-imidazol-2-yl)sulfanyl]-N-(1-phenylethyl)acetamide is sourced from PubChem (CID 5305859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).