N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]-2-(4-methoxyphenyl)sulfanylacetamide

C20H21N3O2S — CID 41015162

IUPACN-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]-2-(4-methoxyphenyl)sulfanylacetamide
SMILESCOc1ccc(SCC(=O)N[C@@H](C)c2ccc(-n3ccnc3)cc2)cc1
InChIInChI=1S/C20H21N3O2S/c1-15(16-3-5-17(6-4-16)23-12-11-21-14-23)22-20(24)13-26-19-9-7-18(25-2)8-10-19/h3-12,14-15H,13H2,1-2H3,(H,22,24)/t15-/m0/s1
InChIKeySAGWADSISQOBSV-HNNXBMFYSA-N
MW367.47 g/mol
LogP3.85
Rot. Bonds7

About N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]-2-(4-methoxyphenyl)sulfanylacetamide

N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]-2-(4-methoxyphenyl)sulfanylacetamide (PubChem CID 41015162) has the molecular formula C20H21N3O2S and a molecular weight of 367.47 g/mol. Its IUPAC name is N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]-2-(4-methoxyphenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]-2-(4-methoxyphenyl)sulfanylacetamide
PubChem CID41015162
Molecular FormulaC20H21N3O2S
Molecular Weight367.47 g/mol
Exact Mass367.14
IUPAC NameN-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]-2-(4-methoxyphenyl)sulfanylacetamide
SMILESCOc1ccc(SCC(=O)N[C@@H](C)c2ccc(-n3ccnc3)cc2)cc1
InChIInChI=1S/C20H21N3O2S/c1-15(16-3-5-17(6-4-16)23-12-11-21-14-23)22-20(24)13-26-19-9-7-18(25-2)8-10-19/h3-12,14-15H,13H2,1-2H3,(H,22,24)/t15-/m0/s1
InChIKeySAGWADSISQOBSV-HNNXBMFYSA-N
XLogP3.85
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]-2-(4-methoxyphenyl)sulfanylacetamide?
The IUPAC name of N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]-2-(4-methoxyphenyl)sulfanylacetamide (CID 41015162) is N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]-2-(4-methoxyphenyl)sulfanylacetamide.
What is the SMILES notation for N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]-2-(4-methoxyphenyl)sulfanylacetamide?
The canonical SMILES for N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]-2-(4-methoxyphenyl)sulfanylacetamide is COc1ccc(SCC(=O)N[C@@H](C)c2ccc(-n3ccnc3)cc2)cc1.
What is the InChIKey of N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]-2-(4-methoxyphenyl)sulfanylacetamide?
The InChIKey is SAGWADSISQOBSV-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H21N3O2S/c1-15(16-3-5-17(6-4-16)23-12-11-21-14-23)22-20(24)13-26-19-9-7-18(25-2)8-10-19/h3-12,14-15H,13H2,1-2H3,(H,22,24)/t15-/m0/s1.
What are the key properties of N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]-2-(4-methoxyphenyl)sulfanylacetamide?
N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]-2-(4-methoxyphenyl)sulfanylacetamide has a molecular weight of 367.47 g/mol, XLogP of 3.85, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]-2-(4-methoxyphenyl)sulfanylacetamide is sourced from PubChem (CID 41015162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).