N-(tert-butylcarbamoyl)-2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]acetamide

C16H19FN4O2S — CID 27736308

IUPACN-(tert-butylcarbamoyl)-2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]acetamide
SMILESCC(C)(C)NC(=O)NC(=O)CSc1ncc(-c2ccc(F)cc2)[nH]1
InChIInChI=1S/C16H19FN4O2S/c1-16(2,3)21-14(23)20-13(22)9-24-15-18-8-12(19-15)10-4-6-11(17)7-5-10/h4-8H,9H2,1-3H3,(H,18,19)(H2,20,21,22,23)
InChIKeyNATVDGORAVFRMO-UHFFFAOYSA-N
MW350.42 g/mol
LogP2.93
Rot. Bonds4

About N-(tert-butylcarbamoyl)-2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]acetamide

N-(tert-butylcarbamoyl)-2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]acetamide (PubChem CID 27736308) has the molecular formula C16H19FN4O2S and a molecular weight of 350.42 g/mol. Its IUPAC name is N-(tert-butylcarbamoyl)-2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-(tert-butylcarbamoyl)-2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]acetamide
PubChem CID27736308
Molecular FormulaC16H19FN4O2S
Molecular Weight350.42 g/mol
Exact Mass350.12
IUPAC NameN-(tert-butylcarbamoyl)-2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]acetamide
SMILESCC(C)(C)NC(=O)NC(=O)CSc1ncc(-c2ccc(F)cc2)[nH]1
InChIInChI=1S/C16H19FN4O2S/c1-16(2,3)21-14(23)20-13(22)9-24-15-18-8-12(19-15)10-4-6-11(17)7-5-10/h4-8H,9H2,1-3H3,(H,18,19)(H2,20,21,22,23)
InChIKeyNATVDGORAVFRMO-UHFFFAOYSA-N
XLogP2.93
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 52.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-(tert-butylcarbamoyl)-2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]acetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(tert-butylcarbamoyl)-2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]acetamide?
The IUPAC name of N-(tert-butylcarbamoyl)-2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]acetamide (CID 27736308) is N-(tert-butylcarbamoyl)-2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]acetamide.
What is the SMILES notation for N-(tert-butylcarbamoyl)-2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]acetamide?
The canonical SMILES for N-(tert-butylcarbamoyl)-2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]acetamide is CC(C)(C)NC(=O)NC(=O)CSc1ncc(-c2ccc(F)cc2)[nH]1.
What is the InChIKey of N-(tert-butylcarbamoyl)-2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]acetamide?
The InChIKey is NATVDGORAVFRMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN4O2S/c1-16(2,3)21-14(23)20-13(22)9-24-15-18-8-12(19-15)10-4-6-11(17)7-5-10/h4-8H,9H2,1-3H3,(H,18,19)(H2,20,21,22,23).
What are the key properties of N-(tert-butylcarbamoyl)-2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]acetamide?
N-(tert-butylcarbamoyl)-2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]acetamide has a molecular weight of 350.42 g/mol, XLogP of 2.93, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(tert-butylcarbamoyl)-2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]acetamide is sourced from PubChem (CID 27736308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).