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

C15H22N2O2S — CID 106161625

IUPAC2-(2,3-dihydro-1H-indol-3-yl)-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)acetamide
SMILESCSC(CO)C(C)NC(=O)CC1CNc2ccccc21
InChIInChI=1S/C15H22N2O2S/c1-10(14(9-18)20-2)17-15(19)7-11-8-16-13-6-4-3-5-12(11)13/h3-6,10-11,14,16,18H,7-9H2,1-2H3,(H,17,19)
InChIKeyWIODVBXKRRTFIT-UHFFFAOYSA-N
MW294.42 g/mol
LogP1.81
Rot. Bonds6

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

2-(2,3-dihydro-1H-indol-3-yl)-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)acetamide (PubChem CID 106161625) has the molecular formula C15H22N2O2S and a molecular weight of 294.42 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-indol-3-yl)-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)acetamide.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-indol-3-yl)-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)acetamide
PubChem CID106161625
Molecular FormulaC15H22N2O2S
Molecular Weight294.42 g/mol
Exact Mass294.14
IUPAC Name2-(2,3-dihydro-1H-indol-3-yl)-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)acetamide
SMILESCSC(CO)C(C)NC(=O)CC1CNc2ccccc21
InChIInChI=1S/C15H22N2O2S/c1-10(14(9-18)20-2)17-15(19)7-11-8-16-13-6-4-3-5-12(11)13/h3-6,10-11,14,16,18H,7-9H2,1-2H3,(H,17,19)
InChIKeyWIODVBXKRRTFIT-UHFFFAOYSA-N
XLogP1.81
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 51.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2-hydroxy-4,5-dihydro-3H-1-benzazepin-3-yl)sulfanyl]-N-(3-hydroxypropyl)propanamide
CID 42652525
N-[2-(5-ethyl-2-oxo-1,3-dihydroindol-3-yl)ethyl]-2-(trifluoromethylsulfanyl)acetamide
CID 53607744
N,N-dimethyl-2-(3-methylsulfanyl-2-oxo-indolin-3-yl)acetamide
CID 326649
3-Methylsulfanyl-3-[2-oxo-2-(1-piperidyl)ethyl]indolin-2-one
CID 326652
(2R)-2-(5-fluoro-2,3-dihydro-1H-indol-3-yl)-3-methylsulfonylpropanamide
CID 69867310
5-fluoro-N-(1-hydroxy-3-methylbutan-2-yl)-2,3-dihydro-1H-indole-2-carboxamide
CID 71066254
3-[Anilino-(2-oxo-1,3-dihydroindol-3-yl)methyl]sulfanylpropanoic acid
CID 168300889
Ica-Lys-boroMet
CID 74765696
1-(2,2-dimethylpropanoyl)-N-pentylspiro[2H-indole-3,4'-thiane]-2-carboxamide
CID 135030424
2-(2,3-dihydro-1H-indol-3-yl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 80572367
N-[2-[(3R)-5-ethyl-2-oxo-1,3-dihydroindol-3-yl]ethyl]-2-(trifluoromethylsulfanyl)acetamide
CID 95330344
N-[2-[(3S)-5-ethyl-2-oxo-1,3-dihydroindol-3-yl]ethyl]-2-(trifluoromethylsulfanyl)acetamide
CID 98163819

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-indol-3-yl)-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)acetamide?
The IUPAC name of 2-(2,3-dihydro-1H-indol-3-yl)-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)acetamide (CID 106161625) is 2-(2,3-dihydro-1H-indol-3-yl)-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)acetamide.
What is the SMILES notation for 2-(2,3-dihydro-1H-indol-3-yl)-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)acetamide?
The canonical SMILES for 2-(2,3-dihydro-1H-indol-3-yl)-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)acetamide is CSC(CO)C(C)NC(=O)CC1CNc2ccccc21.
What is the InChIKey of 2-(2,3-dihydro-1H-indol-3-yl)-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)acetamide?
The InChIKey is WIODVBXKRRTFIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2S/c1-10(14(9-18)20-2)17-15(19)7-11-8-16-13-6-4-3-5-12(11)13/h3-6,10-11,14,16,18H,7-9H2,1-2H3,(H,17,19).
What are the key properties of 2-(2,3-dihydro-1H-indol-3-yl)-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)acetamide?
2-(2,3-dihydro-1H-indol-3-yl)-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)acetamide has a molecular weight of 294.42 g/mol, XLogP of 1.81, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1H-indol-3-yl)-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)acetamide is sourced from PubChem (CID 106161625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).