1-[(2R)-2-(2,3-dimethylphenoxy)butanoyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide

C22H28N2O4S — CID 92647054

IUPAC1-[(2R)-2-(2,3-dimethylphenoxy)butanoyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide
SMILESCC[C@@H](Oc1cccc(C)c1C)C(=O)N1CCc2cc(S(=O)(=O)N(C)C)ccc21
InChIInChI=1S/C22H28N2O4S/c1-6-20(28-21-9-7-8-15(2)16(21)3)22(25)24-13-12-17-14-18(10-11-19(17)24)29(26,27)23(4)5/h7-11,14,20H,6,12-13H2,1-5H3/t20-/m1/s1
InChIKeyDLEDTTPDIWSPGU-HXUWFJFHSA-N
MW416.54 g/mol
LogP3.30
Rot. Bonds6

About 1-[(2R)-2-(2,3-dimethylphenoxy)butanoyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide

1-[(2R)-2-(2,3-dimethylphenoxy)butanoyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide (PubChem CID 92647054) has the molecular formula C22H28N2O4S and a molecular weight of 416.54 g/mol. Its IUPAC name is 1-[(2R)-2-(2,3-dimethylphenoxy)butanoyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound Name1-[(2R)-2-(2,3-dimethylphenoxy)butanoyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide
PubChem CID92647054
Molecular FormulaC22H28N2O4S
Molecular Weight416.54 g/mol
Exact Mass416.18
IUPAC Name1-[(2R)-2-(2,3-dimethylphenoxy)butanoyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide
SMILESCC[C@@H](Oc1cccc(C)c1C)C(=O)N1CCc2cc(S(=O)(=O)N(C)C)ccc21
InChIInChI=1S/C22H28N2O4S/c1-6-20(28-21-9-7-8-15(2)16(21)3)22(25)24-13-12-17-14-18(10-11-19(17)24)29(26,27)23(4)5/h7-11,14,20H,6,12-13H2,1-5H3/t20-/m1/s1
InChIKeyDLEDTTPDIWSPGU-HXUWFJFHSA-N
XLogP3.30
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.54
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[(2R)-2-(2,3-dimethylphenoxy)butanoyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide with MolForge

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Related Compounds

N,N-dimethyl-1-[2-(2-propan-2-ylphenoxy)butanoyl]-2,3-dihydroindole-6-sulfonamide
CID 86957000
1-[(2R)-2-(2-chlorophenoxy)propanoyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide
CID 39641255
1-[2-(2-chlorophenoxy)propanoyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide
CID 132663330
N,N-dimethyl-1-(2-phenoxypropanoyl)-2,3-dihydroindole-5-sulfonamide
CID 18097880
1-[2-(4-chloro-3-methylphenoxy)propanoyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide
CID 132667023
1-(7-chloro-3-methyl-1-benzofuran-2-carbonyl)-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide
CID 26769851
N,N-dimethyl-1-(3-phenylpropanoyl)-2,3-dihydroindole-5-sulfonamide
CID 26769525
1-[3-(2,6-dichlorophenyl)propanoyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide
CID 100602895
1-[(2S)-2-aminopropanoyl]-N,N-dimethyl-2,3-dihydroindole-6-sulfonamide
CID 119324906
(2S)-2-(2,3-dimethylphenoxy)-1-(4-ethylpiperazin-1-yl)butan-1-one
CID 99131307
1-[(3-acetyl-2,4,6-trimethylphenyl)methyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide
CID 31875222
N,N-dimethyl-1-(1-methylpiperidine-4-carbonyl)-2,3-dihydroindole-5-sulfonamide
CID 50875375

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-(2,3-dimethylphenoxy)butanoyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide?
The IUPAC name of 1-[(2R)-2-(2,3-dimethylphenoxy)butanoyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide (CID 92647054) is 1-[(2R)-2-(2,3-dimethylphenoxy)butanoyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for 1-[(2R)-2-(2,3-dimethylphenoxy)butanoyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide?
The canonical SMILES for 1-[(2R)-2-(2,3-dimethylphenoxy)butanoyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide is CC[C@@H](Oc1cccc(C)c1C)C(=O)N1CCc2cc(S(=O)(=O)N(C)C)ccc21.
What is the InChIKey of 1-[(2R)-2-(2,3-dimethylphenoxy)butanoyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide?
The InChIKey is DLEDTTPDIWSPGU-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H28N2O4S/c1-6-20(28-21-9-7-8-15(2)16(21)3)22(25)24-13-12-17-14-18(10-11-19(17)24)29(26,27)23(4)5/h7-11,14,20H,6,12-13H2,1-5H3/t20-/m1/s1.
What are the key properties of 1-[(2R)-2-(2,3-dimethylphenoxy)butanoyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide?
1-[(2R)-2-(2,3-dimethylphenoxy)butanoyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide has a molecular weight of 416.54 g/mol, XLogP of 3.30, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-(2,3-dimethylphenoxy)butanoyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 92647054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).