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

C19H17BrFN3OS — CID 40942854

IUPAC2-[[5-(4-bromophenyl)-1H-imidazol-2-yl]sulfanyl]-N-[(1S)-1-(4-fluorophenyl)ethyl]acetamide
SMILESC[C@H](NC(=O)CSc1ncc(-c2ccc(Br)cc2)[nH]1)c1ccc(F)cc1
InChIInChI=1S/C19H17BrFN3OS/c1-12(13-4-8-16(21)9-5-13)23-18(25)11-26-19-22-10-17(24-19)14-2-6-15(20)7-3-14/h2-10,12H,11H2,1H3,(H,22,24)(H,23,25)/t12-/m0/s1
InChIKeySNSJPPVOGQRSSE-LBPRGKRZSA-N
MW434.33 g/mol
LogP4.95
Rot. Bonds6

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

2-[[5-(4-bromophenyl)-1H-imidazol-2-yl]sulfanyl]-N-[(1S)-1-(4-fluorophenyl)ethyl]acetamide (PubChem CID 40942854) has the molecular formula C19H17BrFN3OS and a molecular weight of 434.33 g/mol. Its IUPAC name is 2-[[5-(4-bromophenyl)-1H-imidazol-2-yl]sulfanyl]-N-[(1S)-1-(4-fluorophenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[[5-(4-bromophenyl)-1H-imidazol-2-yl]sulfanyl]-N-[(1S)-1-(4-fluorophenyl)ethyl]acetamide
PubChem CID40942854
Molecular FormulaC19H17BrFN3OS
Molecular Weight434.33 g/mol
Exact Mass433.03
IUPAC Name2-[[5-(4-bromophenyl)-1H-imidazol-2-yl]sulfanyl]-N-[(1S)-1-(4-fluorophenyl)ethyl]acetamide
SMILESC[C@H](NC(=O)CSc1ncc(-c2ccc(Br)cc2)[nH]1)c1ccc(F)cc1
InChIInChI=1S/C19H17BrFN3OS/c1-12(13-4-8-16(21)9-5-13)23-18(25)11-26-19-22-10-17(24-19)14-2-6-15(20)7-3-14/h2-10,12H,11H2,1H3,(H,22,24)(H,23,25)/t12-/m0/s1
InChIKeySNSJPPVOGQRSSE-LBPRGKRZSA-N
XLogP4.95
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.33
LogP ≤ 54.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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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-(1-methoxypropan-2-yl)acetamide
CID 17427646
N-(tert-butylcarbamoyl)-2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]acetamide
CID 27736308
2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]-N-propan-2-ylacetamide
CID 25495577
2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]acetamide
CID 860011
2-[(4-bromophenyl)methylsulfanyl]-N-[(1S)-1-(4-fluorophenyl)ethyl]acetamide
CID 28634214
2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]-N-(2-methylphenyl)acetamide
CID 27736148
N-[1-(4-bromophenyl)ethyl]-2-(4-fluorophenyl)acetamide
CID 47097775
N-(3-acetamidophenyl)-2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]acetamide
CID 27736272
N-butan-2-yl-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetamide
CID 42944884
2-[[5-(4-bromophenyl)-1H-imidazol-2-yl]sulfanyl]-N-(2-methylsulfonylphenyl)acetamide
CID 24500653
N-[1-(4-bromophenyl)ethyl]-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide
CID 55364493

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(4-bromophenyl)-1H-imidazol-2-yl]sulfanyl]-N-[(1S)-1-(4-fluorophenyl)ethyl]acetamide?
The IUPAC name of 2-[[5-(4-bromophenyl)-1H-imidazol-2-yl]sulfanyl]-N-[(1S)-1-(4-fluorophenyl)ethyl]acetamide (CID 40942854) is 2-[[5-(4-bromophenyl)-1H-imidazol-2-yl]sulfanyl]-N-[(1S)-1-(4-fluorophenyl)ethyl]acetamide.
What is the SMILES notation for 2-[[5-(4-bromophenyl)-1H-imidazol-2-yl]sulfanyl]-N-[(1S)-1-(4-fluorophenyl)ethyl]acetamide?
The canonical SMILES for 2-[[5-(4-bromophenyl)-1H-imidazol-2-yl]sulfanyl]-N-[(1S)-1-(4-fluorophenyl)ethyl]acetamide is C[C@H](NC(=O)CSc1ncc(-c2ccc(Br)cc2)[nH]1)c1ccc(F)cc1.
What is the InChIKey of 2-[[5-(4-bromophenyl)-1H-imidazol-2-yl]sulfanyl]-N-[(1S)-1-(4-fluorophenyl)ethyl]acetamide?
The InChIKey is SNSJPPVOGQRSSE-LBPRGKRZSA-N. The full InChI is InChI=1S/C19H17BrFN3OS/c1-12(13-4-8-16(21)9-5-13)23-18(25)11-26-19-22-10-17(24-19)14-2-6-15(20)7-3-14/h2-10,12H,11H2,1H3,(H,22,24)(H,23,25)/t12-/m0/s1.
What are the key properties of 2-[[5-(4-bromophenyl)-1H-imidazol-2-yl]sulfanyl]-N-[(1S)-1-(4-fluorophenyl)ethyl]acetamide?
2-[[5-(4-bromophenyl)-1H-imidazol-2-yl]sulfanyl]-N-[(1S)-1-(4-fluorophenyl)ethyl]acetamide has a molecular weight of 434.33 g/mol, XLogP of 4.95, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(4-bromophenyl)-1H-imidazol-2-yl]sulfanyl]-N-[(1S)-1-(4-fluorophenyl)ethyl]acetamide is sourced from PubChem (CID 40942854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).