N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-2-[[5-(1-ethylindol-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide

C23H22N6O2S — CID 92901947

IUPACN-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-2-[[5-(1-ethylindol-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
SMILESCCn1c(-c2nnc(SCC(=O)N[C@@H](C)c3nc4ccccc4[nH]3)o2)cc2ccccc21
InChIInChI=1S/C23H22N6O2S/c1-3-29-18-11-7-4-8-15(18)12-19(29)22-27-28-23(31-22)32-13-20(30)24-14(2)21-25-16-9-5-6-10-17(16)26-21/h4-12,14H,3,13H2,1-2H3,(H,24,30)(H,25,26)/t14-/m0/s1
InChIKeyLNGZFCMTESNPGE-AWEZNQCLSA-N
MW446.54 g/mol
LogP4.56
Rot. Bonds7

About N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-2-[[5-(1-ethylindol-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide

N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-2-[[5-(1-ethylindol-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide (PubChem CID 92901947) has the molecular formula C23H22N6O2S and a molecular weight of 446.54 g/mol. Its IUPAC name is N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-2-[[5-(1-ethylindol-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-2-[[5-(1-ethylindol-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
PubChem CID92901947
Molecular FormulaC23H22N6O2S
Molecular Weight446.54 g/mol
Exact Mass446.15
IUPAC NameN-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-2-[[5-(1-ethylindol-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
SMILESCCn1c(-c2nnc(SCC(=O)N[C@@H](C)c3nc4ccccc4[nH]3)o2)cc2ccccc21
InChIInChI=1S/C23H22N6O2S/c1-3-29-18-11-7-4-8-15(18)12-19(29)22-27-28-23(31-22)32-13-20(30)24-14(2)21-25-16-9-5-6-10-17(16)26-21/h4-12,14H,3,13H2,1-2H3,(H,24,30)(H,25,26)/t14-/m0/s1
InChIKeyLNGZFCMTESNPGE-AWEZNQCLSA-N
XLogP4.56
TPSA101.63 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.54
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-2-[[5-(1-ethylindol-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The IUPAC name of N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-2-[[5-(1-ethylindol-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide (CID 92901947) is N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-2-[[5-(1-ethylindol-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide.
What is the SMILES notation for N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-2-[[5-(1-ethylindol-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The canonical SMILES for N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-2-[[5-(1-ethylindol-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide is CCn1c(-c2nnc(SCC(=O)N[C@@H](C)c3nc4ccccc4[nH]3)o2)cc2ccccc21.
What is the InChIKey of N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-2-[[5-(1-ethylindol-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The InChIKey is LNGZFCMTESNPGE-AWEZNQCLSA-N. The full InChI is InChI=1S/C23H22N6O2S/c1-3-29-18-11-7-4-8-15(18)12-19(29)22-27-28-23(31-22)32-13-20(30)24-14(2)21-25-16-9-5-6-10-17(16)26-21/h4-12,14H,3,13H2,1-2H3,(H,24,30)(H,25,26)/t14-/m0/s1.
What are the key properties of N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-2-[[5-(1-ethylindol-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-2-[[5-(1-ethylindol-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide has a molecular weight of 446.54 g/mol, XLogP of 4.56, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-2-[[5-(1-ethylindol-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide is sourced from PubChem (CID 92901947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).