N-(1-acetyl-2,3-dihydroindol-5-yl)-2-(1-butyl-4,5-dimethylimidazol-2-yl)sulfanylacetamide

C21H28N4O2S — CID 18269767

IUPACN-(1-acetyl-2,3-dihydroindol-5-yl)-2-(1-butyl-4,5-dimethylimidazol-2-yl)sulfanylacetamide
SMILESCCCCn1c(SCC(=O)Nc2ccc3c(c2)CCN3C(C)=O)nc(C)c1C
InChIInChI=1S/C21H28N4O2S/c1-5-6-10-24-15(3)14(2)22-21(24)28-13-20(27)23-18-7-8-19-17(12-18)9-11-25(19)16(4)26/h7-8,12H,5-6,9-11,13H2,1-4H3,(H,23,27)
InChIKeyBOLBQLYACUYNBJ-UHFFFAOYSA-N
MW400.55 g/mol
LogP3.94
Rot. Bonds7

About N-(1-acetyl-2,3-dihydroindol-5-yl)-2-(1-butyl-4,5-dimethylimidazol-2-yl)sulfanylacetamide

N-(1-acetyl-2,3-dihydroindol-5-yl)-2-(1-butyl-4,5-dimethylimidazol-2-yl)sulfanylacetamide (PubChem CID 18269767) has the molecular formula C21H28N4O2S and a molecular weight of 400.55 g/mol. Its IUPAC name is N-(1-acetyl-2,3-dihydroindol-5-yl)-2-(1-butyl-4,5-dimethylimidazol-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(1-acetyl-2,3-dihydroindol-5-yl)-2-(1-butyl-4,5-dimethylimidazol-2-yl)sulfanylacetamide
PubChem CID18269767
Molecular FormulaC21H28N4O2S
Molecular Weight400.55 g/mol
Exact Mass400.19
IUPAC NameN-(1-acetyl-2,3-dihydroindol-5-yl)-2-(1-butyl-4,5-dimethylimidazol-2-yl)sulfanylacetamide
SMILESCCCCn1c(SCC(=O)Nc2ccc3c(c2)CCN3C(C)=O)nc(C)c1C
InChIInChI=1S/C21H28N4O2S/c1-5-6-10-24-15(3)14(2)22-21(24)28-13-20(27)23-18-7-8-19-17(12-18)9-11-25(19)16(4)26/h7-8,12H,5-6,9-11,13H2,1-4H3,(H,23,27)
InChIKeyBOLBQLYACUYNBJ-UHFFFAOYSA-N
XLogP3.94
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.55
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1-butyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-(3,4-dimethylphenyl)acetamide
CID 18278347
N-(1-acetyl-2,3-dihydroindol-5-yl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 17460373
N-(1-acetyl-2,3-dihydroindol-5-yl)pentanamide
CID 39952141
1-[2-(1-butyl-4,5-dimethylimidazol-2-yl)sulfanylacetyl]-2,3-dihydroindole-5-sulfonamide
CID 18229955
N-(1-acetyl-2,3-dihydroindol-5-yl)-2-(1-cyclopropylimidazol-2-yl)sulfanylacetamide
CID 17464984
N-(1-acetyl-2,3-dihydroindol-5-yl)-4-(4,6-dimethyl-2-oxopyrimidin-1-yl)butanamide
CID 46971413
N-(1-acetyl-2,3-dihydroindol-5-yl)-2-tert-butylsulfanylacetamide
CID 29288915
2-(1-butyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-naphthalen-1-ylacetamide
CID 22831107
N-(1-acetyl-2,3-dihydroindol-5-yl)-2-(2,6-dimethylanilino)acetamide
CID 30706791
N-(1-acetyl-2,3-dihydroindol-5-yl)-2-bromoacetamide
CID 63679851
N-(1-acetyl-2,3-dihydroindol-5-yl)-2-[[4-amino-5-[(3,5-dimethylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 24501302
N-(1-acetyl-2,3-dihydroindol-5-yl)-2-(1H-benzimidazol-2-ylsulfanyl)acetamide
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Frequently Asked Questions

What is the IUPAC name of N-(1-acetyl-2,3-dihydroindol-5-yl)-2-(1-butyl-4,5-dimethylimidazol-2-yl)sulfanylacetamide?
The IUPAC name of N-(1-acetyl-2,3-dihydroindol-5-yl)-2-(1-butyl-4,5-dimethylimidazol-2-yl)sulfanylacetamide (CID 18269767) is N-(1-acetyl-2,3-dihydroindol-5-yl)-2-(1-butyl-4,5-dimethylimidazol-2-yl)sulfanylacetamide.
What is the SMILES notation for N-(1-acetyl-2,3-dihydroindol-5-yl)-2-(1-butyl-4,5-dimethylimidazol-2-yl)sulfanylacetamide?
The canonical SMILES for N-(1-acetyl-2,3-dihydroindol-5-yl)-2-(1-butyl-4,5-dimethylimidazol-2-yl)sulfanylacetamide is CCCCn1c(SCC(=O)Nc2ccc3c(c2)CCN3C(C)=O)nc(C)c1C.
What is the InChIKey of N-(1-acetyl-2,3-dihydroindol-5-yl)-2-(1-butyl-4,5-dimethylimidazol-2-yl)sulfanylacetamide?
The InChIKey is BOLBQLYACUYNBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O2S/c1-5-6-10-24-15(3)14(2)22-21(24)28-13-20(27)23-18-7-8-19-17(12-18)9-11-25(19)16(4)26/h7-8,12H,5-6,9-11,13H2,1-4H3,(H,23,27).
What are the key properties of N-(1-acetyl-2,3-dihydroindol-5-yl)-2-(1-butyl-4,5-dimethylimidazol-2-yl)sulfanylacetamide?
N-(1-acetyl-2,3-dihydroindol-5-yl)-2-(1-butyl-4,5-dimethylimidazol-2-yl)sulfanylacetamide has a molecular weight of 400.55 g/mol, XLogP of 3.94, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-acetyl-2,3-dihydroindol-5-yl)-2-(1-butyl-4,5-dimethylimidazol-2-yl)sulfanylacetamide is sourced from PubChem (CID 18269767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).