1-(2-ethoxy-4-methyl-5-propan-2-ylphenyl)sulfonyl-2-methyl-2,3-dihydroindole

C21H27NO3S — CID 5298031

IUPAC1-(2-ethoxy-4-methyl-5-propan-2-ylphenyl)sulfonyl-2-methyl-2,3-dihydroindole
SMILESCCOc1cc(C)c(C(C)C)cc1S(=O)(=O)N1c2ccccc2CC1C
InChIInChI=1S/C21H27NO3S/c1-6-25-20-11-15(4)18(14(2)3)13-21(20)26(23,24)22-16(5)12-17-9-7-8-10-19(17)22/h7-11,13-14,16H,6,12H2,1-5H3
InChIKeyYVKDYRWRAQGPAG-UHFFFAOYSA-N
MW373.52 g/mol
LogP4.66
Rot. Bonds5

About 1-(2-ethoxy-4-methyl-5-propan-2-ylphenyl)sulfonyl-2-methyl-2,3-dihydroindole

1-(2-ethoxy-4-methyl-5-propan-2-ylphenyl)sulfonyl-2-methyl-2,3-dihydroindole (PubChem CID 5298031) has the molecular formula C21H27NO3S and a molecular weight of 373.52 g/mol. Its IUPAC name is 1-(2-ethoxy-4-methyl-5-propan-2-ylphenyl)sulfonyl-2-methyl-2,3-dihydroindole.

Molecular Properties

Compound Name1-(2-ethoxy-4-methyl-5-propan-2-ylphenyl)sulfonyl-2-methyl-2,3-dihydroindole
PubChem CID5298031
Molecular FormulaC21H27NO3S
Molecular Weight373.52 g/mol
Exact Mass373.17
IUPAC Name1-(2-ethoxy-4-methyl-5-propan-2-ylphenyl)sulfonyl-2-methyl-2,3-dihydroindole
SMILESCCOc1cc(C)c(C(C)C)cc1S(=O)(=O)N1c2ccccc2CC1C
InChIInChI=1S/C21H27NO3S/c1-6-25-20-11-15(4)18(14(2)3)13-21(20)26(23,24)22-16(5)12-17-9-7-8-10-19(17)22/h7-11,13-14,16H,6,12H2,1-5H3
InChIKeyYVKDYRWRAQGPAG-UHFFFAOYSA-N
XLogP4.66
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.52
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1-(5-chloro-2-ethoxy-4-methylphenyl)sulfonyl-2-methyl-2,3-dihydroindole
CID 7314548
1-(5-chloro-2-methoxy-4-methylphenyl)sulfonyl-2-methyl-2,3-dihydroindole
CID 2978845
1,4-bis[(2-ethoxy-4-methyl-5-propan-2-ylphenyl)sulfonyl]piperazine
CID 71671530
(2R)-1-(5-ethyl-2-methoxyphenyl)sulfonyl-2-methyl-2,3-dihydroindole
CID 9267432
(2R)-2-methyl-1-[2,4,6-tri(propan-2-yl)phenyl]sulfonyl-2,3-dihydroindole
CID 27332586
(2S)-1-(4-methoxy-2-methylphenyl)sulfonyl-2-methyl-2,3-dihydroindole
CID 7456409
1-(2-ethoxy-4-methyl-5-propan-2-ylphenyl)sulfonylbenzimidazole
CID 91669948
(2R)-1-(5-bromo-2-methylphenyl)sulfonyl-2-methyl-2,3-dihydroindole
CID 8511937
(2S)-1-(2,5-dichloro-4-methoxyphenyl)sulfonyl-2-methyl-2,3-dihydroindole
CID 1179545
1-(4-bromo-2,5-dimethoxyphenyl)sulfonyl-2-methyl-2,3-dihydroindole
CID 45146130
1-(2,4-dimethoxyphenyl)sulfonyl-2-methyl-2,3-dihydroindole
CID 19683272
1-(4-bromo-2-ethylphenyl)sulfonyl-2-methyl-2,3-dihydroindole
CID 4986555

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxy-4-methyl-5-propan-2-ylphenyl)sulfonyl-2-methyl-2,3-dihydroindole?
The IUPAC name of 1-(2-ethoxy-4-methyl-5-propan-2-ylphenyl)sulfonyl-2-methyl-2,3-dihydroindole (CID 5298031) is 1-(2-ethoxy-4-methyl-5-propan-2-ylphenyl)sulfonyl-2-methyl-2,3-dihydroindole.
What is the SMILES notation for 1-(2-ethoxy-4-methyl-5-propan-2-ylphenyl)sulfonyl-2-methyl-2,3-dihydroindole?
The canonical SMILES for 1-(2-ethoxy-4-methyl-5-propan-2-ylphenyl)sulfonyl-2-methyl-2,3-dihydroindole is CCOc1cc(C)c(C(C)C)cc1S(=O)(=O)N1c2ccccc2CC1C.
What is the InChIKey of 1-(2-ethoxy-4-methyl-5-propan-2-ylphenyl)sulfonyl-2-methyl-2,3-dihydroindole?
The InChIKey is YVKDYRWRAQGPAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO3S/c1-6-25-20-11-15(4)18(14(2)3)13-21(20)26(23,24)22-16(5)12-17-9-7-8-10-19(17)22/h7-11,13-14,16H,6,12H2,1-5H3.
What are the key properties of 1-(2-ethoxy-4-methyl-5-propan-2-ylphenyl)sulfonyl-2-methyl-2,3-dihydroindole?
1-(2-ethoxy-4-methyl-5-propan-2-ylphenyl)sulfonyl-2-methyl-2,3-dihydroindole has a molecular weight of 373.52 g/mol, XLogP of 4.66, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxy-4-methyl-5-propan-2-ylphenyl)sulfonyl-2-methyl-2,3-dihydroindole is sourced from PubChem (CID 5298031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).