N-(1-acetyl-2,3-dihydroindol-5-yl)-2-tert-butylsulfanylacetamide

C16H22N2O2S — CID 29288915

IUPACN-(1-acetyl-2,3-dihydroindol-5-yl)-2-tert-butylsulfanylacetamide
SMILESCC(=O)N1CCc2cc(NC(=O)CSC(C)(C)C)ccc21
InChIInChI=1S/C16H22N2O2S/c1-11(19)18-8-7-12-9-13(5-6-14(12)18)17-15(20)10-21-16(2,3)4/h5-6,9H,7-8,10H2,1-4H3,(H,17,20)
InChIKeyYEYDIQRBPPVTSQ-UHFFFAOYSA-N
MW306.43 g/mol
LogP3.07
Rot. Bonds3

About N-(1-acetyl-2,3-dihydroindol-5-yl)-2-tert-butylsulfanylacetamide

N-(1-acetyl-2,3-dihydroindol-5-yl)-2-tert-butylsulfanylacetamide (PubChem CID 29288915) has the molecular formula C16H22N2O2S and a molecular weight of 306.43 g/mol. Its IUPAC name is N-(1-acetyl-2,3-dihydroindol-5-yl)-2-tert-butylsulfanylacetamide.

Molecular Properties

Compound NameN-(1-acetyl-2,3-dihydroindol-5-yl)-2-tert-butylsulfanylacetamide
PubChem CID29288915
Molecular FormulaC16H22N2O2S
Molecular Weight306.43 g/mol
Exact Mass306.14
IUPAC NameN-(1-acetyl-2,3-dihydroindol-5-yl)-2-tert-butylsulfanylacetamide
SMILESCC(=O)N1CCc2cc(NC(=O)CSC(C)(C)C)ccc21
InChIInChI=1S/C16H22N2O2S/c1-11(19)18-8-7-12-9-13(5-6-14(12)18)17-15(20)10-21-16(2,3)4/h5-6,9H,7-8,10H2,1-4H3,(H,17,20)
InChIKeyYEYDIQRBPPVTSQ-UHFFFAOYSA-N
XLogP3.07
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.43
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-acetyl-2,3-dihydroindol-5-yl)-2-bromoacetamide
CID 63679851
N-(1-acetyl-2,3-dihydroindol-5-yl)pentanamide
CID 39952141
N-(1-acetyl-2,3-dihydroindol-5-yl)-2-(2,6-dimethylanilino)acetamide
CID 30706791
N-(1-acetyl-2,3-dihydroindol-5-yl)-2-methyl-2-(methylamino)propanamide
CID 62836406
N-(1-acetyl-2,3-dihydroindol-5-yl)-4-aminobutanamide;hydrochloride
CID 119271758
N-(1-acetyl-2,3-dihydroindol-5-yl)-2-(4-acetyl-2-fluorophenyl)sulfanylacetamide
CID 34184863
N-(1-acetyl-2,3-dihydroindol-5-yl)-3-phenylpropanamide
CID 42424044
N-(1-acetyl-2,3-dihydroindol-5-yl)-2-(2-methoxyethoxy)acetamide
CID 103606736
N-(1-acetyl-2,3-dihydroindol-5-yl)-2-(cyclopropylmethylamino)acetamide;hydrochloride
CID 119690426
N-(1-acetyl-2,3-dihydroindol-5-yl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 17460373
2-tert-butylsulfanyl-N-[4-(2,3-dihydroindole-1-carbonyl)phenyl]acetamide
CID 60608468
N-(1-acetyl-2,3-dihydroindol-5-yl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
CID 17493832

Frequently Asked Questions

What is the IUPAC name of N-(1-acetyl-2,3-dihydroindol-5-yl)-2-tert-butylsulfanylacetamide?
The IUPAC name of N-(1-acetyl-2,3-dihydroindol-5-yl)-2-tert-butylsulfanylacetamide (CID 29288915) is N-(1-acetyl-2,3-dihydroindol-5-yl)-2-tert-butylsulfanylacetamide.
What is the SMILES notation for N-(1-acetyl-2,3-dihydroindol-5-yl)-2-tert-butylsulfanylacetamide?
The canonical SMILES for N-(1-acetyl-2,3-dihydroindol-5-yl)-2-tert-butylsulfanylacetamide is CC(=O)N1CCc2cc(NC(=O)CSC(C)(C)C)ccc21.
What is the InChIKey of N-(1-acetyl-2,3-dihydroindol-5-yl)-2-tert-butylsulfanylacetamide?
The InChIKey is YEYDIQRBPPVTSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2S/c1-11(19)18-8-7-12-9-13(5-6-14(12)18)17-15(20)10-21-16(2,3)4/h5-6,9H,7-8,10H2,1-4H3,(H,17,20).
What are the key properties of N-(1-acetyl-2,3-dihydroindol-5-yl)-2-tert-butylsulfanylacetamide?
N-(1-acetyl-2,3-dihydroindol-5-yl)-2-tert-butylsulfanylacetamide has a molecular weight of 306.43 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-acetyl-2,3-dihydroindol-5-yl)-2-tert-butylsulfanylacetamide is sourced from PubChem (CID 29288915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).