N-tert-butyl-2-[[2-[1-(3-fluorophenyl)imidazol-2-yl]sulfanylacetyl]-methylamino]acetamide

C18H23FN4O2S — CID 40670232

IUPACN-tert-butyl-2-[[2-[1-(3-fluorophenyl)imidazol-2-yl]sulfanylacetyl]-methylamino]acetamide
SMILESCN(CC(=O)NC(C)(C)C)C(=O)CSc1nccn1-c1cccc(F)c1
InChIInChI=1S/C18H23FN4O2S/c1-18(2,3)21-15(24)11-22(4)16(25)12-26-17-20-8-9-23(17)14-7-5-6-13(19)10-14/h5-10H,11-12H2,1-4H3,(H,21,24)
InChIKeyXADLCVNRDCDSDK-UHFFFAOYSA-N
MW378.47 g/mol
LogP2.48
Rot. Bonds6

About N-tert-butyl-2-[[2-[1-(3-fluorophenyl)imidazol-2-yl]sulfanylacetyl]-methylamino]acetamide

N-tert-butyl-2-[[2-[1-(3-fluorophenyl)imidazol-2-yl]sulfanylacetyl]-methylamino]acetamide (PubChem CID 40670232) has the molecular formula C18H23FN4O2S and a molecular weight of 378.47 g/mol. Its IUPAC name is N-tert-butyl-2-[[2-[1-(3-fluorophenyl)imidazol-2-yl]sulfanylacetyl]-methylamino]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[[2-[1-(3-fluorophenyl)imidazol-2-yl]sulfanylacetyl]-methylamino]acetamide
PubChem CID40670232
Molecular FormulaC18H23FN4O2S
Molecular Weight378.47 g/mol
Exact Mass378.15
IUPAC NameN-tert-butyl-2-[[2-[1-(3-fluorophenyl)imidazol-2-yl]sulfanylacetyl]-methylamino]acetamide
SMILESCN(CC(=O)NC(C)(C)C)C(=O)CSc1nccn1-c1cccc(F)c1
InChIInChI=1S/C18H23FN4O2S/c1-18(2,3)21-15(24)11-22(4)16(25)12-26-17-20-8-9-23(17)14-7-5-6-13(19)10-14/h5-10H,11-12H2,1-4H3,(H,21,24)
InChIKeyXADLCVNRDCDSDK-UHFFFAOYSA-N
XLogP2.48
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-tert-butyl-2-[[2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]-methylamino]acetamide
CID 40670161
N-tert-butyl-2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanylacetamide
CID 17458683
2-[1-(3-fluorophenyl)imidazol-2-yl]sulfanylacetic acid
CID 4961838
N-[(1-benzylpyrazol-4-yl)methyl]-2-[1-(3-fluorophenyl)imidazol-2-yl]sulfanyl-N-methylacetamide
CID 17421872
N-(2-ethylphenyl)-2-[1-(3-fluorophenyl)imidazol-2-yl]sulfanylacetamide
CID 17487470
N-(2-bromo-4-methylphenyl)-2-[1-(3-fluorophenyl)imidazol-2-yl]sulfanylacetamide
CID 30063099
2-[1-(3-fluorophenyl)imidazol-2-yl]sulfanyl-N-(2-phenylphenyl)acetamide
CID 8010785
2-[1-(3-fluorophenyl)imidazol-2-yl]sulfanyl-N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]acetamide
CID 41139369
N-(4-ethoxy-2-nitrophenyl)-2-[1-(3-fluorophenyl)imidazol-2-yl]sulfanylacetamide
CID 30063115
2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanyl-N-(3-fluorophenyl)acetamide
CID 4055089
N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-(1-phenylimidazol-2-yl)sulfanylacetamide
CID 33234150
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2-[1-(3-fluorophenyl)imidazol-2-yl]sulfanylacetamide
CID 17474976

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[[2-[1-(3-fluorophenyl)imidazol-2-yl]sulfanylacetyl]-methylamino]acetamide?
The IUPAC name of N-tert-butyl-2-[[2-[1-(3-fluorophenyl)imidazol-2-yl]sulfanylacetyl]-methylamino]acetamide (CID 40670232) is N-tert-butyl-2-[[2-[1-(3-fluorophenyl)imidazol-2-yl]sulfanylacetyl]-methylamino]acetamide.
What is the SMILES notation for N-tert-butyl-2-[[2-[1-(3-fluorophenyl)imidazol-2-yl]sulfanylacetyl]-methylamino]acetamide?
The canonical SMILES for N-tert-butyl-2-[[2-[1-(3-fluorophenyl)imidazol-2-yl]sulfanylacetyl]-methylamino]acetamide is CN(CC(=O)NC(C)(C)C)C(=O)CSc1nccn1-c1cccc(F)c1.
What is the InChIKey of N-tert-butyl-2-[[2-[1-(3-fluorophenyl)imidazol-2-yl]sulfanylacetyl]-methylamino]acetamide?
The InChIKey is XADLCVNRDCDSDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN4O2S/c1-18(2,3)21-15(24)11-22(4)16(25)12-26-17-20-8-9-23(17)14-7-5-6-13(19)10-14/h5-10H,11-12H2,1-4H3,(H,21,24).
What are the key properties of N-tert-butyl-2-[[2-[1-(3-fluorophenyl)imidazol-2-yl]sulfanylacetyl]-methylamino]acetamide?
N-tert-butyl-2-[[2-[1-(3-fluorophenyl)imidazol-2-yl]sulfanylacetyl]-methylamino]acetamide has a molecular weight of 378.47 g/mol, XLogP of 2.48, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[[2-[1-(3-fluorophenyl)imidazol-2-yl]sulfanylacetyl]-methylamino]acetamide is sourced from PubChem (CID 40670232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).