1-(cyclopropanecarbonyl)-N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-2,3-dihydroindole-5-sulfonamide

C25H32N2O4S — CID 133217573

IUPAC1-(cyclopropanecarbonyl)-N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-2,3-dihydroindole-5-sulfonamide
SMILESCOc1cc(C)c(C(C)NS(=O)(=O)c2ccc3c(c2)CCN3C(=O)C2CC2)cc1C(C)C
InChIInChI=1S/C25H32N2O4S/c1-15(2)21-14-22(16(3)12-24(21)31-5)17(4)26-32(29,30)20-8-9-23-19(13-20)10-11-27(23)25(28)18-6-7-18/h8-9,12-15,17-18,26H,6-7,10-11H2,1-5H3
InChIKeyKWSFCHLBBYBVEX-UHFFFAOYSA-N
MW456.61 g/mol
LogP4.47
Rot. Bonds7

About 1-(cyclopropanecarbonyl)-N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-2,3-dihydroindole-5-sulfonamide

1-(cyclopropanecarbonyl)-N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-2,3-dihydroindole-5-sulfonamide (PubChem CID 133217573) has the molecular formula C25H32N2O4S and a molecular weight of 456.61 g/mol. Its IUPAC name is 1-(cyclopropanecarbonyl)-N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-2,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound Name1-(cyclopropanecarbonyl)-N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-2,3-dihydroindole-5-sulfonamide
PubChem CID133217573
Molecular FormulaC25H32N2O4S
Molecular Weight456.61 g/mol
Exact Mass456.21
IUPAC Name1-(cyclopropanecarbonyl)-N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-2,3-dihydroindole-5-sulfonamide
SMILESCOc1cc(C)c(C(C)NS(=O)(=O)c2ccc3c(c2)CCN3C(=O)C2CC2)cc1C(C)C
InChIInChI=1S/C25H32N2O4S/c1-15(2)21-14-22(16(3)12-24(21)31-5)17(4)26-32(29,30)20-8-9-23-19(13-20)10-11-27(23)25(28)18-6-7-18/h8-9,12-15,17-18,26H,6-7,10-11H2,1-5H3
InChIKeyKWSFCHLBBYBVEX-UHFFFAOYSA-N
XLogP4.47
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.61
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(cyclopropanecarbonyl)-N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-2,3-dihydroindole-5-sulfonamide with MolForge

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Related Compounds

1-acetyl-N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 133217517
1-(cyclopropanecarbonyl)-N-(3,4-dimethoxyphenyl)-2,3-dihydroindole-5-sulfonamide
CID 15990690
1-(cyclopropanecarbonyl)-N-[(1S)-1-(4-piperidin-1-ylphenyl)ethyl]-2,3-dihydroindole-5-sulfonamide
CID 100738258
N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-3-methyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 133186638
4-methoxy-N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-3-(4-methylpiperidine-1-carbonyl)benzenesulfonamide
CID 133186544
1-acetyl-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2,3-dihydroindole-5-sulfonamide
CID 26545548
1-(cyclopropanecarbonyl)-N-[(S)-(2,4-dimethylphenyl)-phenylmethyl]-2,3-dihydroindole-5-sulfonamide
CID 100756510
1-(cyclopropanecarbonyl)-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2,3-dihydroindole-5-sulfonamide
CID 133231165
1-(cyclopropanecarbonyl)-N-[1-(4-methylphenyl)propyl]-2,3-dihydroindole-5-sulfonamide
CID 133235692
3-iodo-4-methoxy-N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]benzenesulfonamide
CID 133186440
1-(cyclopropanecarbonyl)-N-(3-methylbutyl)-2,3-dihydroindole-5-sulfonamide
CID 5062232
1-(cyclobutanecarbonyl)-N-(4-propan-2-ylphenyl)-2,3-dihydroindole-5-sulfonamide
CID 20853270

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropanecarbonyl)-N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-2,3-dihydroindole-5-sulfonamide?
The IUPAC name of 1-(cyclopropanecarbonyl)-N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-2,3-dihydroindole-5-sulfonamide (CID 133217573) is 1-(cyclopropanecarbonyl)-N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-2,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for 1-(cyclopropanecarbonyl)-N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-2,3-dihydroindole-5-sulfonamide?
The canonical SMILES for 1-(cyclopropanecarbonyl)-N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-2,3-dihydroindole-5-sulfonamide is COc1cc(C)c(C(C)NS(=O)(=O)c2ccc3c(c2)CCN3C(=O)C2CC2)cc1C(C)C.
What is the InChIKey of 1-(cyclopropanecarbonyl)-N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-2,3-dihydroindole-5-sulfonamide?
The InChIKey is KWSFCHLBBYBVEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N2O4S/c1-15(2)21-14-22(16(3)12-24(21)31-5)17(4)26-32(29,30)20-8-9-23-19(13-20)10-11-27(23)25(28)18-6-7-18/h8-9,12-15,17-18,26H,6-7,10-11H2,1-5H3.
What are the key properties of 1-(cyclopropanecarbonyl)-N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-2,3-dihydroindole-5-sulfonamide?
1-(cyclopropanecarbonyl)-N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-2,3-dihydroindole-5-sulfonamide has a molecular weight of 456.61 g/mol, XLogP of 4.47, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropanecarbonyl)-N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-2,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 133217573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).