1-[(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)sulfonyl]-N-(2,5-dimethylphenyl)piperidine-4-carboxamide

C25H31N3O4S — CID 20901905

IUPAC1-[(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)sulfonyl]-N-(2,5-dimethylphenyl)piperidine-4-carboxamide
SMILESCC(=O)N1c2ccc(S(=O)(=O)N3CCC(C(=O)Nc4cc(C)ccc4C)CC3)cc2CC1C
InChIInChI=1S/C25H31N3O4S/c1-16-5-6-17(2)23(13-16)26-25(30)20-9-11-27(12-10-20)33(31,32)22-7-8-24-21(15-22)14-18(3)28(24)19(4)29/h5-8,13,15,18,20H,9-12,14H2,1-4H3,(H,26,30)
InChIKeyVWOUGUJMNHMLCI-UHFFFAOYSA-N
MW469.61 g/mol
LogP3.64
Rot. Bonds4

About 1-[(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)sulfonyl]-N-(2,5-dimethylphenyl)piperidine-4-carboxamide

1-[(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)sulfonyl]-N-(2,5-dimethylphenyl)piperidine-4-carboxamide (PubChem CID 20901905) has the molecular formula C25H31N3O4S and a molecular weight of 469.61 g/mol. Its IUPAC name is 1-[(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)sulfonyl]-N-(2,5-dimethylphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)sulfonyl]-N-(2,5-dimethylphenyl)piperidine-4-carboxamide
PubChem CID20901905
Molecular FormulaC25H31N3O4S
Molecular Weight469.61 g/mol
Exact Mass469.20
IUPAC Name1-[(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)sulfonyl]-N-(2,5-dimethylphenyl)piperidine-4-carboxamide
SMILESCC(=O)N1c2ccc(S(=O)(=O)N3CCC(C(=O)Nc4cc(C)ccc4C)CC3)cc2CC1C
InChIInChI=1S/C25H31N3O4S/c1-16-5-6-17(2)23(13-16)26-25(30)20-9-11-27(12-10-20)33(31,32)22-7-8-24-21(15-22)14-18(3)28(24)19(4)29/h5-8,13,15,18,20H,9-12,14H2,1-4H3,(H,26,30)
InChIKeyVWOUGUJMNHMLCI-UHFFFAOYSA-N
XLogP3.64
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.61
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)sulfonyl]-N-(4-fluoro-2-methylphenyl)piperidine-4-carboxamide
CID 20901933
1-[[(2R)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonyl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 92687748
1-[(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)sulfonyl]piperidine-4-carboxamide
CID 55508695
ethyl 4-[[1-[(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)sulfonyl]piperidine-4-carbonyl]amino]benzoate
CID 20910598
2-[[(2R)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonyl-methylamino]-N-(2,5-dimethylphenyl)acetamide
CID 41051668
1-[(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)sulfonyl]-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
CID 20901921
1-[5-[(3R)-3-aminopyrrolidin-1-yl]sulfonyl-2-methyl-2,3-dihydroindol-1-yl]ethanone
CID 119962803
(3S)-1-[[(2R)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonyl]-N-[2-(4-methylphenyl)ethyl]piperidine-3-carboxamide
CID 100892879
(3R)-1-[[(2S)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonyl]-N-(4-chlorophenyl)piperidine-3-carboxamide
CID 92687756
1-[(2R)-5-[4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]piperidin-1-yl]sulfonyl-2-methyl-2,3-dihydroindol-1-yl]ethanone
CID 93472653
(3R)-1-[[(2R)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonyl]-N-(2-ethoxyphenyl)piperidine-3-carboxamide
CID 99731247
1-[2-methyl-5-(4-pyridin-4-ylpiperidin-1-yl)sulfonyl-2,3-dihydroindol-1-yl]ethanone
CID 22585605

Frequently Asked Questions

What is the IUPAC name of 1-[(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)sulfonyl]-N-(2,5-dimethylphenyl)piperidine-4-carboxamide?
The IUPAC name of 1-[(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)sulfonyl]-N-(2,5-dimethylphenyl)piperidine-4-carboxamide (CID 20901905) is 1-[(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)sulfonyl]-N-(2,5-dimethylphenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)sulfonyl]-N-(2,5-dimethylphenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)sulfonyl]-N-(2,5-dimethylphenyl)piperidine-4-carboxamide is CC(=O)N1c2ccc(S(=O)(=O)N3CCC(C(=O)Nc4cc(C)ccc4C)CC3)cc2CC1C.
What is the InChIKey of 1-[(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)sulfonyl]-N-(2,5-dimethylphenyl)piperidine-4-carboxamide?
The InChIKey is VWOUGUJMNHMLCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O4S/c1-16-5-6-17(2)23(13-16)26-25(30)20-9-11-27(12-10-20)33(31,32)22-7-8-24-21(15-22)14-18(3)28(24)19(4)29/h5-8,13,15,18,20H,9-12,14H2,1-4H3,(H,26,30).
What are the key properties of 1-[(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)sulfonyl]-N-(2,5-dimethylphenyl)piperidine-4-carboxamide?
1-[(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)sulfonyl]-N-(2,5-dimethylphenyl)piperidine-4-carboxamide has a molecular weight of 469.61 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)sulfonyl]-N-(2,5-dimethylphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 20901905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).