N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-2-(1-cyclopropylimidazol-2-yl)sulfanylacetamide

C18H19N3O2S — CID 42260896

IUPACN-[(1R)-1-(1-benzofuran-2-yl)ethyl]-2-(1-cyclopropylimidazol-2-yl)sulfanylacetamide
SMILESC[C@@H](NC(=O)CSc1nccn1C1CC1)c1cc2ccccc2o1
InChIInChI=1S/C18H19N3O2S/c1-12(16-10-13-4-2-3-5-15(13)23-16)20-17(22)11-24-18-19-8-9-21(18)14-6-7-14/h2-5,8-10,12,14H,6-7,11H2,1H3,(H,20,22)/t12-/m1/s1
InChIKeyYBMAWADXFIEKGU-GFCCVEGCSA-N
MW341.44 g/mol
LogP3.93
Rot. Bonds6

About N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-2-(1-cyclopropylimidazol-2-yl)sulfanylacetamide

N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-2-(1-cyclopropylimidazol-2-yl)sulfanylacetamide (PubChem CID 42260896) has the molecular formula C18H19N3O2S and a molecular weight of 341.44 g/mol. Its IUPAC name is N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-2-(1-cyclopropylimidazol-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-[(1R)-1-(1-benzofuran-2-yl)ethyl]-2-(1-cyclopropylimidazol-2-yl)sulfanylacetamide
PubChem CID42260896
Molecular FormulaC18H19N3O2S
Molecular Weight341.44 g/mol
Exact Mass341.12
IUPAC NameN-[(1R)-1-(1-benzofuran-2-yl)ethyl]-2-(1-cyclopropylimidazol-2-yl)sulfanylacetamide
SMILESC[C@@H](NC(=O)CSc1nccn1C1CC1)c1cc2ccccc2o1
InChIInChI=1S/C18H19N3O2S/c1-12(16-10-13-4-2-3-5-15(13)23-16)20-17(22)11-24-18-19-8-9-21(18)14-6-7-14/h2-5,8-10,12,14H,6-7,11H2,1H3,(H,20,22)/t12-/m1/s1
InChIKeyYBMAWADXFIEKGU-GFCCVEGCSA-N
XLogP3.93
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-(1-cyclopropylimidazol-2-yl)sulfanylacetamide
CID 42930954
2-(1-cyclopropylimidazol-2-yl)sulfanyl-N-(2-methylpropyl)acetamide
CID 43038478
2-(1-cyclohexylimidazol-2-yl)sulfanyl-N-propan-2-ylacetamide
CID 22585465
N-[1-(1-benzofuran-2-yl)ethyl]-2-(1,3-benzoxazol-2-ylsulfanyl)acetamide
CID 46828655
N-[1-(1-benzofuran-2-yl)ethyl]-2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 17429495
N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-2-[[5-[[(3R)-1,1-dioxothiolan-3-yl]methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 41249424
2-(1-cyclopropylimidazol-2-yl)sulfanyl-N-naphthalen-2-ylacetamide
CID 16587926
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 8510980
N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-2-[[5-(2-methylpropylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 8511819
N-[1-(1-benzofuran-2-yl)ethyl]-2-(1,1-dioxothiolan-3-yl)sulfanylacetamide
CID 55395187
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-(4-hydroxypiperidin-1-yl)acetamide
CID 51883476
2-(1-cyclopropylimidazol-2-yl)sulfanyl-N-phenylacetamide
CID 17449965

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-2-(1-cyclopropylimidazol-2-yl)sulfanylacetamide?
The IUPAC name of N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-2-(1-cyclopropylimidazol-2-yl)sulfanylacetamide (CID 42260896) is N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-2-(1-cyclopropylimidazol-2-yl)sulfanylacetamide.
What is the SMILES notation for N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-2-(1-cyclopropylimidazol-2-yl)sulfanylacetamide?
The canonical SMILES for N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-2-(1-cyclopropylimidazol-2-yl)sulfanylacetamide is C[C@@H](NC(=O)CSc1nccn1C1CC1)c1cc2ccccc2o1.
What is the InChIKey of N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-2-(1-cyclopropylimidazol-2-yl)sulfanylacetamide?
The InChIKey is YBMAWADXFIEKGU-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H19N3O2S/c1-12(16-10-13-4-2-3-5-15(13)23-16)20-17(22)11-24-18-19-8-9-21(18)14-6-7-14/h2-5,8-10,12,14H,6-7,11H2,1H3,(H,20,22)/t12-/m1/s1.
What are the key properties of N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-2-(1-cyclopropylimidazol-2-yl)sulfanylacetamide?
N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-2-(1-cyclopropylimidazol-2-yl)sulfanylacetamide has a molecular weight of 341.44 g/mol, XLogP of 3.93, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-2-(1-cyclopropylimidazol-2-yl)sulfanylacetamide is sourced from PubChem (CID 42260896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).