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

C15H19BrN4OS — CID 16766269

IUPACN-(5-bromo-2-pyridinyl)-2-[(4-butyl-5-methyl-1H-imidazol-2-yl)sulfanyl]acetamide
SMILESCCCCc1nc(SCC(=O)Nc2ccc(Br)cn2)[nH]c1C
InChIInChI=1S/C15H19BrN4OS/c1-3-4-5-12-10(2)18-15(19-12)22-9-14(21)20-13-7-6-11(16)8-17-13/h6-8H,3-5,9H2,1-2H3,(H,18,19)(H,17,20,21)
InChIKeyCFKSCYKUAYPXAT-UHFFFAOYSA-N
MW383.32 g/mol
LogP3.95
Rot. Bonds7

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

N-(5-bromo-2-pyridinyl)-2-[(4-butyl-5-methyl-1H-imidazol-2-yl)sulfanyl]acetamide (PubChem CID 16766269) has the molecular formula C15H19BrN4OS and a molecular weight of 383.32 g/mol. Its IUPAC name is N-(5-bromo-2-pyridinyl)-2-[(4-butyl-5-methyl-1H-imidazol-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(5-bromo-2-pyridinyl)-2-[(4-butyl-5-methyl-1H-imidazol-2-yl)sulfanyl]acetamide
PubChem CID16766269
Molecular FormulaC15H19BrN4OS
Molecular Weight383.32 g/mol
Exact Mass382.05
IUPAC NameN-(5-bromo-2-pyridinyl)-2-[(4-butyl-5-methyl-1H-imidazol-2-yl)sulfanyl]acetamide
SMILESCCCCc1nc(SCC(=O)Nc2ccc(Br)cn2)[nH]c1C
InChIInChI=1S/C15H19BrN4OS/c1-3-4-5-12-10(2)18-15(19-12)22-9-14(21)20-13-7-6-11(16)8-17-13/h6-8H,3-5,9H2,1-2H3,(H,18,19)(H,17,20,21)
InChIKeyCFKSCYKUAYPXAT-UHFFFAOYSA-N
XLogP3.95
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.32
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 135448860
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CID 163506125
2-[(4-butyl-5-methyl-1H-imidazol-2-yl)sulfanyl]-N-(1-phenylethyl)acetamide
CID 5305859
2-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanyl]-N-(5-chloro-2-pyridinyl)acetamide
CID 6472561
N-(5-bromo-2-pyridinyl)-2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]acetamide
CID 6498506
N-(5-bromo-2-pyridinyl)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 5027984
1-(4-bromophenyl)-2-[(4-ethyl-5-methyl-1H-imidazol-2-yl)sulfanyl]ethanone
CID 25249673
3-[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]sulfanylbutanoic acid
CID 66138511
N-(5-bromo-2-pyridinyl)-2-(3-butyl-5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide
CID 46666235
N-(5-bromo-2-pyridinyl)-2-(4-chlorophenyl)sulfanylacetamide
CID 1325893
6-[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]sulfanylpyridine-3-carboxylic acid
CID 61304760
2-[[4-amino-5-(5-methyl-1H-pyrazol-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(5-bromo-2-pyridinyl)acetamide
CID 4911628

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-pyridinyl)-2-[(4-butyl-5-methyl-1H-imidazol-2-yl)sulfanyl]acetamide?
The IUPAC name of N-(5-bromo-2-pyridinyl)-2-[(4-butyl-5-methyl-1H-imidazol-2-yl)sulfanyl]acetamide (CID 16766269) is N-(5-bromo-2-pyridinyl)-2-[(4-butyl-5-methyl-1H-imidazol-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(5-bromo-2-pyridinyl)-2-[(4-butyl-5-methyl-1H-imidazol-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-(5-bromo-2-pyridinyl)-2-[(4-butyl-5-methyl-1H-imidazol-2-yl)sulfanyl]acetamide is CCCCc1nc(SCC(=O)Nc2ccc(Br)cn2)[nH]c1C.
What is the InChIKey of N-(5-bromo-2-pyridinyl)-2-[(4-butyl-5-methyl-1H-imidazol-2-yl)sulfanyl]acetamide?
The InChIKey is CFKSCYKUAYPXAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN4OS/c1-3-4-5-12-10(2)18-15(19-12)22-9-14(21)20-13-7-6-11(16)8-17-13/h6-8H,3-5,9H2,1-2H3,(H,18,19)(H,17,20,21).
What are the key properties of N-(5-bromo-2-pyridinyl)-2-[(4-butyl-5-methyl-1H-imidazol-2-yl)sulfanyl]acetamide?
N-(5-bromo-2-pyridinyl)-2-[(4-butyl-5-methyl-1H-imidazol-2-yl)sulfanyl]acetamide has a molecular weight of 383.32 g/mol, XLogP of 3.95, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-pyridinyl)-2-[(4-butyl-5-methyl-1H-imidazol-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 16766269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).