2-[[5-(4-bromophenyl)-1H-imidazol-2-yl]sulfanyl]-N-(1-methoxypropan-2-yl)acetamide

C15H18BrN3O2S — CID 17427646

IUPAC2-[[5-(4-bromophenyl)-1H-imidazol-2-yl]sulfanyl]-N-(1-methoxypropan-2-yl)acetamide
SMILESCOCC(C)NC(=O)CSc1ncc(-c2ccc(Br)cc2)[nH]1
InChIInChI=1S/C15H18BrN3O2S/c1-10(8-21-2)18-14(20)9-22-15-17-7-13(19-15)11-3-5-12(16)6-4-11/h3-7,10H,8-9H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyXFNUTCSIOOCPSP-UHFFFAOYSA-N
MW384.30 g/mol
LogP3.08
Rot. Bonds7

About 2-[[5-(4-bromophenyl)-1H-imidazol-2-yl]sulfanyl]-N-(1-methoxypropan-2-yl)acetamide

2-[[5-(4-bromophenyl)-1H-imidazol-2-yl]sulfanyl]-N-(1-methoxypropan-2-yl)acetamide (PubChem CID 17427646) has the molecular formula C15H18BrN3O2S and a molecular weight of 384.30 g/mol. Its IUPAC name is 2-[[5-(4-bromophenyl)-1H-imidazol-2-yl]sulfanyl]-N-(1-methoxypropan-2-yl)acetamide.

Molecular Properties

Compound Name2-[[5-(4-bromophenyl)-1H-imidazol-2-yl]sulfanyl]-N-(1-methoxypropan-2-yl)acetamide
PubChem CID17427646
Molecular FormulaC15H18BrN3O2S
Molecular Weight384.30 g/mol
Exact Mass383.03
IUPAC Name2-[[5-(4-bromophenyl)-1H-imidazol-2-yl]sulfanyl]-N-(1-methoxypropan-2-yl)acetamide
SMILESCOCC(C)NC(=O)CSc1ncc(-c2ccc(Br)cc2)[nH]1
InChIInChI=1S/C15H18BrN3O2S/c1-10(8-21-2)18-14(20)9-22-15-17-7-13(19-15)11-3-5-12(16)6-4-11/h3-7,10H,8-9H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyXFNUTCSIOOCPSP-UHFFFAOYSA-N
XLogP3.08
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.30
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[[5-(4-bromophenyl)-1H-imidazol-2-yl]sulfanyl]-N-(1-methoxypropan-2-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[5-(4-bromophenyl)-1H-imidazol-2-yl]sulfanyl]-N-[(1R)-1-(2-methoxyphenyl)ethyl]acetamide
CID 41030207
2-[[5-(4-bromophenyl)-1H-imidazol-2-yl]sulfanyl]-N-[(1S)-1-(4-fluorophenyl)ethyl]acetamide
CID 40942854
N-butan-2-yl-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetamide
CID 42944884
2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]-N-propan-2-ylacetamide
CID 25495577
2-[[5-(4-bromophenyl)-1H-imidazol-2-yl]sulfanyl]-N-(2-methylsulfonylphenyl)acetamide
CID 24500653
6-amino-5-[2-[[5-(4-bromophenyl)-1H-imidazol-2-yl]sulfanyl]acetyl]-1-(2-methoxyethyl)pyrimidine-2,4-dione
CID 24571848
2-(4-bromophenoxy)-N-[(2R)-1-methoxypropan-2-yl]acetamide
CID 7028135
6-[2-(1-methoxypropan-2-ylamino)-2-oxoethyl]sulfanylpyridine-3-carboxylic acid
CID 61304778
2-[[5-(4-bromophenyl)-1H-imidazol-2-yl]sulfanyl]-N-[(3,4-dimethoxyphenyl)methyl]-N-ethylacetamide
CID 17431308
2-[[5-(4-bromophenyl)-1H-imidazol-2-yl]sulfanyl]-N-(4-phenylbutan-2-yl)propanamide
CID 16560633
2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-N-[(2R)-1-methoxypropan-2-yl]acetamide
CID 7225581
2-(4-bromophenyl)sulfanyl-N-[(2R)-1-hydroxypropan-2-yl]acetamide
CID 79031085

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(4-bromophenyl)-1H-imidazol-2-yl]sulfanyl]-N-(1-methoxypropan-2-yl)acetamide?
The IUPAC name of 2-[[5-(4-bromophenyl)-1H-imidazol-2-yl]sulfanyl]-N-(1-methoxypropan-2-yl)acetamide (CID 17427646) is 2-[[5-(4-bromophenyl)-1H-imidazol-2-yl]sulfanyl]-N-(1-methoxypropan-2-yl)acetamide.
What is the SMILES notation for 2-[[5-(4-bromophenyl)-1H-imidazol-2-yl]sulfanyl]-N-(1-methoxypropan-2-yl)acetamide?
The canonical SMILES for 2-[[5-(4-bromophenyl)-1H-imidazol-2-yl]sulfanyl]-N-(1-methoxypropan-2-yl)acetamide is COCC(C)NC(=O)CSc1ncc(-c2ccc(Br)cc2)[nH]1.
What is the InChIKey of 2-[[5-(4-bromophenyl)-1H-imidazol-2-yl]sulfanyl]-N-(1-methoxypropan-2-yl)acetamide?
The InChIKey is XFNUTCSIOOCPSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3O2S/c1-10(8-21-2)18-14(20)9-22-15-17-7-13(19-15)11-3-5-12(16)6-4-11/h3-7,10H,8-9H2,1-2H3,(H,17,19)(H,18,20).
What are the key properties of 2-[[5-(4-bromophenyl)-1H-imidazol-2-yl]sulfanyl]-N-(1-methoxypropan-2-yl)acetamide?
2-[[5-(4-bromophenyl)-1H-imidazol-2-yl]sulfanyl]-N-(1-methoxypropan-2-yl)acetamide has a molecular weight of 384.30 g/mol, XLogP of 3.08, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(4-bromophenyl)-1H-imidazol-2-yl]sulfanyl]-N-(1-methoxypropan-2-yl)acetamide is sourced from PubChem (CID 17427646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).