3-[[1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]sulfonyl]-N-(4-methylcyclohexyl)propanamide

C23H32N2O4S — CID 20917390

IUPAC3-[[1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]sulfonyl]-N-(4-methylcyclohexyl)propanamide
SMILESCC1CCC(NC(=O)CCS(=O)(=O)c2ccc3c(c2)CC(C)N3C(=O)C2CC2)CC1
InChIInChI=1S/C23H32N2O4S/c1-15-3-7-19(8-4-15)24-22(26)11-12-30(28,29)20-9-10-21-18(14-20)13-16(2)25(21)23(27)17-5-6-17/h9-10,14-17,19H,3-8,11-13H2,1-2H3,(H,24,26)
InChIKeyGZXSXQMPVKDJGT-UHFFFAOYSA-N
MW432.59 g/mol
LogP3.23
Rot. Bonds6

About 3-[[1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]sulfonyl]-N-(4-methylcyclohexyl)propanamide

3-[[1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]sulfonyl]-N-(4-methylcyclohexyl)propanamide (PubChem CID 20917390) has the molecular formula C23H32N2O4S and a molecular weight of 432.59 g/mol. Its IUPAC name is 3-[[1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]sulfonyl]-N-(4-methylcyclohexyl)propanamide.

Molecular Properties

Compound Name3-[[1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]sulfonyl]-N-(4-methylcyclohexyl)propanamide
PubChem CID20917390
Molecular FormulaC23H32N2O4S
Molecular Weight432.59 g/mol
Exact Mass432.21
IUPAC Name3-[[1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]sulfonyl]-N-(4-methylcyclohexyl)propanamide
SMILESCC1CCC(NC(=O)CCS(=O)(=O)c2ccc3c(c2)CC(C)N3C(=O)C2CC2)CC1
InChIInChI=1S/C23H32N2O4S/c1-15-3-7-19(8-4-15)24-22(26)11-12-30(28,29)20-9-10-21-18(14-20)13-16(2)25(21)23(27)17-5-6-17/h9-10,14-17,19H,3-8,11-13H2,1-2H3,(H,24,26)
InChIKeyGZXSXQMPVKDJGT-UHFFFAOYSA-N
XLogP3.23
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.59
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopentyl-3-[[(2S)-1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]sulfonyl]propanamide
CID 92722877
3-[[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]sulfonyl]-N-(4-methylcyclohexyl)propanamide
CID 20950665
3-[[1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]sulfonyl]-N-(3,5-dimethylphenyl)propanamide
CID 20917384
N-cycloheptyl-3-[[(2R)-1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]propanamide
CID 92687952
3-[[1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]sulfonyl]-N-(2,4-dimethylphenyl)propanamide
CID 20917376
3-[[1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]sulfonyl]-N-[3-(dimethylamino)-4-methylphenyl]propanamide
CID 20917406
3-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonyl]-N-(4-methylcyclohexyl)propanamide
CID 126459390
N-(4-ethylphenyl)-3-[(2-methyl-1-propanoyl-2,3-dihydroindol-5-yl)sulfonyl]propanamide
CID 20853326
3-[[(2S)-1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]-N-(4-methylphenyl)propanamide
CID 92688036
1-(cyclopropanecarbonyl)-2-methyl-N-morpholin-4-yl-2,3-dihydroindole-5-sulfonamide
CID 6624196
3-[[(2S)-1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 92688011
(3R)-N-cyclohexyl-1-[[(2S)-1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]sulfonyl]piperidine-3-carboxamide
CID 92688064

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]sulfonyl]-N-(4-methylcyclohexyl)propanamide?
The IUPAC name of 3-[[1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]sulfonyl]-N-(4-methylcyclohexyl)propanamide (CID 20917390) is 3-[[1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]sulfonyl]-N-(4-methylcyclohexyl)propanamide.
What is the SMILES notation for 3-[[1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]sulfonyl]-N-(4-methylcyclohexyl)propanamide?
The canonical SMILES for 3-[[1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]sulfonyl]-N-(4-methylcyclohexyl)propanamide is CC1CCC(NC(=O)CCS(=O)(=O)c2ccc3c(c2)CC(C)N3C(=O)C2CC2)CC1.
What is the InChIKey of 3-[[1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]sulfonyl]-N-(4-methylcyclohexyl)propanamide?
The InChIKey is GZXSXQMPVKDJGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2O4S/c1-15-3-7-19(8-4-15)24-22(26)11-12-30(28,29)20-9-10-21-18(14-20)13-16(2)25(21)23(27)17-5-6-17/h9-10,14-17,19H,3-8,11-13H2,1-2H3,(H,24,26).
What are the key properties of 3-[[1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]sulfonyl]-N-(4-methylcyclohexyl)propanamide?
3-[[1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]sulfonyl]-N-(4-methylcyclohexyl)propanamide has a molecular weight of 432.59 g/mol, XLogP of 3.23, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]sulfonyl]-N-(4-methylcyclohexyl)propanamide is sourced from PubChem (CID 20917390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).