2-(2,3-dihydro-1H-indol-3-yl)-N-(4-methylsulfanylphenyl)acetamide

C17H18N2OS — CID 80572001

IUPAC2-(2,3-dihydro-1H-indol-3-yl)-N-(4-methylsulfanylphenyl)acetamide
SMILESCSc1ccc(NC(=O)CC2CNc3ccccc32)cc1
InChIInChI=1S/C17H18N2OS/c1-21-14-8-6-13(7-9-14)19-17(20)10-12-11-18-16-5-3-2-4-15(12)16/h2-9,12,18H,10-11H2,1H3,(H,19,20)
InChIKeyKSYVJKHZLKPKBE-UHFFFAOYSA-N
MW298.41 g/mol
LogP3.95
Rot. Bonds4

About 2-(2,3-dihydro-1H-indol-3-yl)-N-(4-methylsulfanylphenyl)acetamide

2-(2,3-dihydro-1H-indol-3-yl)-N-(4-methylsulfanylphenyl)acetamide (PubChem CID 80572001) has the molecular formula C17H18N2OS and a molecular weight of 298.41 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-indol-3-yl)-N-(4-methylsulfanylphenyl)acetamide.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-indol-3-yl)-N-(4-methylsulfanylphenyl)acetamide
PubChem CID80572001
Molecular FormulaC17H18N2OS
Molecular Weight298.41 g/mol
Exact Mass298.11
IUPAC Name2-(2,3-dihydro-1H-indol-3-yl)-N-(4-methylsulfanylphenyl)acetamide
SMILESCSc1ccc(NC(=O)CC2CNc3ccccc32)cc1
InChIInChI=1S/C17H18N2OS/c1-21-14-8-6-13(7-9-14)19-17(20)10-12-11-18-16-5-3-2-4-15(12)16/h2-9,12,18H,10-11H2,1H3,(H,19,20)
InChIKeyKSYVJKHZLKPKBE-UHFFFAOYSA-N
XLogP3.95
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-bromo-3-fluorophenyl)-2-(2,3-dihydro-1H-indol-3-yl)acetamide
CID 80573033
N-(3-bromo-5-methylphenyl)-2-(2,3-dihydro-1H-indol-3-yl)acetamide
CID 107583431
N-(3-chlorophenyl)-2-(2,3-dihydro-1H-indol-3-yl)acetamide
CID 80573961
2-(2,3-dihydro-1H-indol-3-yl)-N-[3-(hydroxymethyl)phenyl]acetamide
CID 80572158
2-(2,3-dihydro-1H-indol-3-yl)-N',N'-dimethylacetohydrazide
CID 83020755
methyl 2-[[2-(2,3-dihydro-1H-indol-3-yl)acetyl]amino]benzoate
CID 155924431
2-(2,3-dihydro-1H-indol-3-yl)-N-[4-(phenoxymethyl)phenyl]acetamide;2,2,2-trifluoroacetic acid
CID 167834146
N-(cyanomethyl)-2-(2,3-dihydro-1H-indol-3-yl)acetamide
CID 80573201
2-[[2-(2,3-dihydro-1H-indol-3-yl)acetyl]amino]acetic acid
CID 80573099
2-[[2-(2,3-dihydro-1H-indol-3-yl)acetyl]amino]propanoic acid
CID 80573232
N-(1-cyclopropylethyl)-2-(2,3-dihydro-1H-indol-3-yl)acetamide
CID 80573060
N-(2-cyanophenyl)-2-(2,3-dihydro-1H-indol-3-yl)acetamide
CID 80571680

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-indol-3-yl)-N-(4-methylsulfanylphenyl)acetamide?
The IUPAC name of 2-(2,3-dihydro-1H-indol-3-yl)-N-(4-methylsulfanylphenyl)acetamide (CID 80572001) is 2-(2,3-dihydro-1H-indol-3-yl)-N-(4-methylsulfanylphenyl)acetamide.
What is the SMILES notation for 2-(2,3-dihydro-1H-indol-3-yl)-N-(4-methylsulfanylphenyl)acetamide?
The canonical SMILES for 2-(2,3-dihydro-1H-indol-3-yl)-N-(4-methylsulfanylphenyl)acetamide is CSc1ccc(NC(=O)CC2CNc3ccccc32)cc1.
What is the InChIKey of 2-(2,3-dihydro-1H-indol-3-yl)-N-(4-methylsulfanylphenyl)acetamide?
The InChIKey is KSYVJKHZLKPKBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2OS/c1-21-14-8-6-13(7-9-14)19-17(20)10-12-11-18-16-5-3-2-4-15(12)16/h2-9,12,18H,10-11H2,1H3,(H,19,20).
What are the key properties of 2-(2,3-dihydro-1H-indol-3-yl)-N-(4-methylsulfanylphenyl)acetamide?
2-(2,3-dihydro-1H-indol-3-yl)-N-(4-methylsulfanylphenyl)acetamide has a molecular weight of 298.41 g/mol, XLogP of 3.95, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1H-indol-3-yl)-N-(4-methylsulfanylphenyl)acetamide is sourced from PubChem (CID 80572001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).