2-(2-methyl-2,3-dihydroindol-1-yl)-N-(2-methylsulfanylphenyl)acetamide

C18H20N2OS — CID 4664138

IUPAC2-(2-methyl-2,3-dihydroindol-1-yl)-N-(2-methylsulfanylphenyl)acetamide
SMILESCSc1ccccc1NC(=O)CN1c2ccccc2CC1C
InChIInChI=1S/C18H20N2OS/c1-13-11-14-7-3-5-9-16(14)20(13)12-18(21)19-15-8-4-6-10-17(15)22-2/h3-10,13H,11-12H2,1-2H3,(H,19,21)
InChIKeyZOLOPGNXSFDQJO-UHFFFAOYSA-N
MW312.44 g/mol
LogP3.80
Rot. Bonds4

About 2-(2-methyl-2,3-dihydroindol-1-yl)-N-(2-methylsulfanylphenyl)acetamide

2-(2-methyl-2,3-dihydroindol-1-yl)-N-(2-methylsulfanylphenyl)acetamide (PubChem CID 4664138) has the molecular formula C18H20N2OS and a molecular weight of 312.44 g/mol. Its IUPAC name is 2-(2-methyl-2,3-dihydroindol-1-yl)-N-(2-methylsulfanylphenyl)acetamide.

Molecular Properties

Compound Name2-(2-methyl-2,3-dihydroindol-1-yl)-N-(2-methylsulfanylphenyl)acetamide
PubChem CID4664138
Molecular FormulaC18H20N2OS
Molecular Weight312.44 g/mol
Exact Mass312.13
IUPAC Name2-(2-methyl-2,3-dihydroindol-1-yl)-N-(2-methylsulfanylphenyl)acetamide
SMILESCSc1ccccc1NC(=O)CN1c2ccccc2CC1C
InChIInChI=1S/C18H20N2OS/c1-13-11-14-7-3-5-9-16(14)20(13)12-18(21)19-15-8-4-6-10-17(15)22-2/h3-10,13H,11-12H2,1-2H3,(H,19,21)
InChIKeyZOLOPGNXSFDQJO-UHFFFAOYSA-N
XLogP3.80
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Cinanserin
CID 5475158
Cinanserin Hydrochloride
CID 6433141
N-[4-(aminosulfonyl)phenyl]-2-(2,3-dihydro-1H-indol-1-yl)acetamide
CID 2817021
1-(2,3-Dihydro-indol-1-yl)-2-p-tolylsulfanyl-ethanone
CID 738380
3-[4-[4-(2-Methylphenyl)piperazin-1-yl]butyl]-1,3-benzothiazol-2-one
CID 118713589
N-(2-methylphenyl)-2-(3-oxo-2,3-dihydro-4H-1,4-benzothiazin-4-yl)acetamide
CID 954269
2-(2,3-dihydro-1,4-benzothiazin-4-yl)-N-(3-methylphenyl)acetamide
CID 2574382
2-(2-methyl-2,3-dihydroindol-1-yl)-N-(3-sulfamoylphenyl)acetamide
CID 4364151
N-benzyl-2-(3-methylsulfanylanilino)propanamide
CID 4882997
N-[2-[3-(dimethylamino)propylthio]phenyl]-3-phenyl-2-propenamide
CID 5913
1-(2,3-Dihydroindol-1-yl)-2-(phenylthio)ethanone
CID 736577
2-[4-(4-Fluoro-benzyl)-piperidin-1-yl]-2-oxo-N-(2-oxo-2,3-dihydro-benzothiazol-6-yl)-acetamide
CID 10136455

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-2,3-dihydroindol-1-yl)-N-(2-methylsulfanylphenyl)acetamide?
The IUPAC name of 2-(2-methyl-2,3-dihydroindol-1-yl)-N-(2-methylsulfanylphenyl)acetamide (CID 4664138) is 2-(2-methyl-2,3-dihydroindol-1-yl)-N-(2-methylsulfanylphenyl)acetamide.
What is the SMILES notation for 2-(2-methyl-2,3-dihydroindol-1-yl)-N-(2-methylsulfanylphenyl)acetamide?
The canonical SMILES for 2-(2-methyl-2,3-dihydroindol-1-yl)-N-(2-methylsulfanylphenyl)acetamide is CSc1ccccc1NC(=O)CN1c2ccccc2CC1C.
What is the InChIKey of 2-(2-methyl-2,3-dihydroindol-1-yl)-N-(2-methylsulfanylphenyl)acetamide?
The InChIKey is ZOLOPGNXSFDQJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2OS/c1-13-11-14-7-3-5-9-16(14)20(13)12-18(21)19-15-8-4-6-10-17(15)22-2/h3-10,13H,11-12H2,1-2H3,(H,19,21).
What are the key properties of 2-(2-methyl-2,3-dihydroindol-1-yl)-N-(2-methylsulfanylphenyl)acetamide?
2-(2-methyl-2,3-dihydroindol-1-yl)-N-(2-methylsulfanylphenyl)acetamide has a molecular weight of 312.44 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-2,3-dihydroindol-1-yl)-N-(2-methylsulfanylphenyl)acetamide is sourced from PubChem (CID 4664138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).