[1-(2-methoxy-5-methylphenyl)sulfonylpiperidin-4-yl]-[(2R)-2-methyl-2,3-dihydroindol-1-yl]methanone

C23H28N2O4S — CID 100800165

IUPAC[1-(2-methoxy-5-methylphenyl)sulfonylpiperidin-4-yl]-[(2R)-2-methyl-2,3-dihydroindol-1-yl]methanone
SMILESCOc1ccc(C)cc1S(=O)(=O)N1CCC(C(=O)N2c3ccccc3C[C@H]2C)CC1
InChIInChI=1S/C23H28N2O4S/c1-16-8-9-21(29-3)22(14-16)30(27,28)24-12-10-18(11-13-24)23(26)25-17(2)15-19-6-4-5-7-20(19)25/h4-9,14,17-18H,10-13,15H2,1-3H3/t17-/m1/s1
InChIKeyJUZAQDITIFFPJI-QGZVFWFLSA-N
MW428.55 g/mol
LogP3.38
Rot. Bonds4

About [1-(2-methoxy-5-methylphenyl)sulfonylpiperidin-4-yl]-[(2R)-2-methyl-2,3-dihydroindol-1-yl]methanone

[1-(2-methoxy-5-methylphenyl)sulfonylpiperidin-4-yl]-[(2R)-2-methyl-2,3-dihydroindol-1-yl]methanone (PubChem CID 100800165) has the molecular formula C23H28N2O4S and a molecular weight of 428.55 g/mol. Its IUPAC name is [1-(2-methoxy-5-methylphenyl)sulfonylpiperidin-4-yl]-[(2R)-2-methyl-2,3-dihydroindol-1-yl]methanone.

Molecular Properties

Compound Name[1-(2-methoxy-5-methylphenyl)sulfonylpiperidin-4-yl]-[(2R)-2-methyl-2,3-dihydroindol-1-yl]methanone
PubChem CID100800165
Molecular FormulaC23H28N2O4S
Molecular Weight428.55 g/mol
Exact Mass428.18
IUPAC Name[1-(2-methoxy-5-methylphenyl)sulfonylpiperidin-4-yl]-[(2R)-2-methyl-2,3-dihydroindol-1-yl]methanone
SMILESCOc1ccc(C)cc1S(=O)(=O)N1CCC(C(=O)N2c3ccccc3C[C@H]2C)CC1
InChIInChI=1S/C23H28N2O4S/c1-16-8-9-21(29-3)22(14-16)30(27,28)24-12-10-18(11-13-24)23(26)25-17(2)15-19-6-4-5-7-20(19)25/h4-9,14,17-18H,10-13,15H2,1-3H3/t17-/m1/s1
InChIKeyJUZAQDITIFFPJI-QGZVFWFLSA-N
XLogP3.38
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.55
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[(3S)-1-(5-fluoro-2-methoxyphenyl)sulfonylpiperidin-3-yl]-[(2S)-2-methyl-2,3-dihydroindol-1-yl]methanone
CID 125049746
[1-(2-methoxy-5-methylphenyl)sulfonylpiperidin-4-yl]-(3-methylpiperidin-1-yl)methanone
CID 113005859
methyl (2S)-4-[1-(2-methoxy-5-methylphenyl)sulfonylpiperidine-4-carbonyl]-2,3-dihydro-1,4-benzoxazine-2-carboxylate
CID 100800207
[1-(4-ethoxyphenyl)sulfonylpiperidin-4-yl]-[(2S)-2-methyl-2,3-dihydroindol-1-yl]methanone
CID 31462088
[1-(2,1,3-benzoxadiazol-4-ylsulfonyl)piperidin-4-yl]-[(2R)-2-methyl-2,3-dihydroindol-1-yl]methanone
CID 92715048
cyclohexyl-[4-(2-methoxy-5-methylphenyl)sulfonylpiperazin-1-yl]methanone
CID 110347019
2-methoxy-5-methyl-N-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-N-phenylbenzenesulfonamide
CID 100795964
[(2S)-2-methyl-2,3-dihydroindol-1-yl]-[1-[3-(trifluoromethoxy)phenyl]sulfonylpiperidin-4-yl]methanone
CID 34217452
N-(4-acetamidophenyl)-1-(2-methoxy-5-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 126382202
[(2R)-5-bromo-2-methyl-2,3-dihydroindol-1-yl]-[1-(3-chloro-4-methoxyphenyl)sulfonylpiperidin-4-yl]methanone
CID 100799926
1,4-bis[(2-methoxy-5-methylphenyl)sulfonyl]piperazine
CID 1125110
N-(3-chloro-4-methylphenyl)-2-methoxy-5-methyl-N-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]benzenesulfonamide
CID 100797059

Frequently Asked Questions

What is the IUPAC name of [1-(2-methoxy-5-methylphenyl)sulfonylpiperidin-4-yl]-[(2R)-2-methyl-2,3-dihydroindol-1-yl]methanone?
The IUPAC name of [1-(2-methoxy-5-methylphenyl)sulfonylpiperidin-4-yl]-[(2R)-2-methyl-2,3-dihydroindol-1-yl]methanone (CID 100800165) is [1-(2-methoxy-5-methylphenyl)sulfonylpiperidin-4-yl]-[(2R)-2-methyl-2,3-dihydroindol-1-yl]methanone.
What is the SMILES notation for [1-(2-methoxy-5-methylphenyl)sulfonylpiperidin-4-yl]-[(2R)-2-methyl-2,3-dihydroindol-1-yl]methanone?
The canonical SMILES for [1-(2-methoxy-5-methylphenyl)sulfonylpiperidin-4-yl]-[(2R)-2-methyl-2,3-dihydroindol-1-yl]methanone is COc1ccc(C)cc1S(=O)(=O)N1CCC(C(=O)N2c3ccccc3C[C@H]2C)CC1.
What is the InChIKey of [1-(2-methoxy-5-methylphenyl)sulfonylpiperidin-4-yl]-[(2R)-2-methyl-2,3-dihydroindol-1-yl]methanone?
The InChIKey is JUZAQDITIFFPJI-QGZVFWFLSA-N. The full InChI is InChI=1S/C23H28N2O4S/c1-16-8-9-21(29-3)22(14-16)30(27,28)24-12-10-18(11-13-24)23(26)25-17(2)15-19-6-4-5-7-20(19)25/h4-9,14,17-18H,10-13,15H2,1-3H3/t17-/m1/s1.
What are the key properties of [1-(2-methoxy-5-methylphenyl)sulfonylpiperidin-4-yl]-[(2R)-2-methyl-2,3-dihydroindol-1-yl]methanone?
[1-(2-methoxy-5-methylphenyl)sulfonylpiperidin-4-yl]-[(2R)-2-methyl-2,3-dihydroindol-1-yl]methanone has a molecular weight of 428.55 g/mol, XLogP of 3.38, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-methoxy-5-methylphenyl)sulfonylpiperidin-4-yl]-[(2R)-2-methyl-2,3-dihydroindol-1-yl]methanone is sourced from PubChem (CID 100800165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).