(3R)-5-bromo-1-ethyl-3-[(4-methylsulfanylphenyl)methyl]-3H-indol-2-one

C18H18BrNOS — CID 26367872

IUPAC(3R)-5-bromo-1-ethyl-3-[(4-methylsulfanylphenyl)methyl]-3H-indol-2-one
SMILESCCN1C(=O)[C@H](Cc2ccc(SC)cc2)c2cc(Br)ccc21
InChIInChI=1S/C18H18BrNOS/c1-3-20-17-9-6-13(19)11-15(17)16(18(20)21)10-12-4-7-14(22-2)8-5-12/h4-9,11,16H,3,10H2,1-2H3/t16-/m1/s1
InChIKeySVZKNKCHLGZZQF-MRXNPFEDSA-N
MW376.32 g/mol
LogP4.86
Rot. Bonds4

About (3R)-5-bromo-1-ethyl-3-[(4-methylsulfanylphenyl)methyl]-3H-indol-2-one

(3R)-5-bromo-1-ethyl-3-[(4-methylsulfanylphenyl)methyl]-3H-indol-2-one (PubChem CID 26367872) has the molecular formula C18H18BrNOS and a molecular weight of 376.32 g/mol. Its IUPAC name is (3R)-5-bromo-1-ethyl-3-[(4-methylsulfanylphenyl)methyl]-3H-indol-2-one.

Molecular Properties

Compound Name(3R)-5-bromo-1-ethyl-3-[(4-methylsulfanylphenyl)methyl]-3H-indol-2-one
PubChem CID26367872
Molecular FormulaC18H18BrNOS
Molecular Weight376.32 g/mol
Exact Mass375.03
IUPAC Name(3R)-5-bromo-1-ethyl-3-[(4-methylsulfanylphenyl)methyl]-3H-indol-2-one
SMILESCCN1C(=O)[C@H](Cc2ccc(SC)cc2)c2cc(Br)ccc21
InChIInChI=1S/C18H18BrNOS/c1-3-20-17-9-6-13(19)11-15(17)16(18(20)21)10-12-4-7-14(22-2)8-5-12/h4-9,11,16H,3,10H2,1-2H3/t16-/m1/s1
InChIKeySVZKNKCHLGZZQF-MRXNPFEDSA-N
XLogP4.86
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.32
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-5-bromo-1-ethyl-3-[(2-fluorophenyl)methyl]-3H-indol-2-one
CID 26367927
5-bromo-1-ethyl-3-[(2,4,6-trimethoxyphenyl)methyl]-3H-indol-2-one
CID 43912718
(3R)-5-bromo-3-[(2,4-dimethoxyphenyl)methyl]-1-ethyl-3H-indol-2-one
CID 26367906
2-[(5-bromo-1-ethyl-2-oxo-3H-indol-3-yl)methyl]-3-ethylquinazolin-4-one
CID 23606632
2-[[(3R)-5-bromo-1-ethyl-2-oxo-3H-indol-3-yl]methyl]-3-ethylquinazolin-4-one
CID 92716945
1-benzyl-3-[(4-bromophenyl)methyl]-5-chloro-3H-indol-2-one
CID 139259282
3-[(2-aminophenyl)methyl]-5-bromo-1-propyl-3H-indol-2-one
CID 24827966
1-benzyl-6-bromo-3-[(4-bromophenyl)methyl]-3H-indol-2-one
CID 139259299
2-[(5-bromo-1-ethyl-2-oxo-3H-indol-3-yl)methyl]-3-(3-hydroxypropyl)quinazolin-4-one
CID 20895001
9-bromo-6-ethyl-2,3,4,4a-tetrahydro-1H-pyrazino[1,2-a]quinoxalin-5-one
CID 84645293
5-bromo-1-methyl-3-[(2-methylphenyl)methyl]-3H-indol-2-one
CID 43912532
(3S)-3-amino-5-bromo-1-[(4-fluorophenyl)methyl]-3H-indol-2-one
CID 98081113

Frequently Asked Questions

What is the IUPAC name of (3R)-5-bromo-1-ethyl-3-[(4-methylsulfanylphenyl)methyl]-3H-indol-2-one?
The IUPAC name of (3R)-5-bromo-1-ethyl-3-[(4-methylsulfanylphenyl)methyl]-3H-indol-2-one (CID 26367872) is (3R)-5-bromo-1-ethyl-3-[(4-methylsulfanylphenyl)methyl]-3H-indol-2-one.
What is the SMILES notation for (3R)-5-bromo-1-ethyl-3-[(4-methylsulfanylphenyl)methyl]-3H-indol-2-one?
The canonical SMILES for (3R)-5-bromo-1-ethyl-3-[(4-methylsulfanylphenyl)methyl]-3H-indol-2-one is CCN1C(=O)[C@H](Cc2ccc(SC)cc2)c2cc(Br)ccc21.
What is the InChIKey of (3R)-5-bromo-1-ethyl-3-[(4-methylsulfanylphenyl)methyl]-3H-indol-2-one?
The InChIKey is SVZKNKCHLGZZQF-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H18BrNOS/c1-3-20-17-9-6-13(19)11-15(17)16(18(20)21)10-12-4-7-14(22-2)8-5-12/h4-9,11,16H,3,10H2,1-2H3/t16-/m1/s1.
What are the key properties of (3R)-5-bromo-1-ethyl-3-[(4-methylsulfanylphenyl)methyl]-3H-indol-2-one?
(3R)-5-bromo-1-ethyl-3-[(4-methylsulfanylphenyl)methyl]-3H-indol-2-one has a molecular weight of 376.32 g/mol, XLogP of 4.86, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-5-bromo-1-ethyl-3-[(4-methylsulfanylphenyl)methyl]-3H-indol-2-one is sourced from PubChem (CID 26367872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).