5-(3,5-dimethylpiperidin-1-yl)sulfonyl-3-methyl-N-[2-(oxan-4-yl)ethyl]-2,3-dihydro-1H-indole-2-carboxamide

C24H37N3O4S — CID 70985315

IUPAC5-(3,5-dimethylpiperidin-1-yl)sulfonyl-3-methyl-N-[2-(oxan-4-yl)ethyl]-2,3-dihydro-1H-indole-2-carboxamide
SMILESCC1CC(C)CN(S(=O)(=O)c2ccc3c(c2)C(C)C(C(=O)NCCC2CCOCC2)N3)C1
InChIInChI=1S/C24H37N3O4S/c1-16-12-17(2)15-27(14-16)32(29,30)20-4-5-22-21(13-20)18(3)23(26-22)24(28)25-9-6-19-7-10-31-11-8-19/h4-5,13,16-19,23,26H,6-12,14-15H2,1-3H3,(H,25,28)
InChIKeyYLKUILLOGVATJI-UHFFFAOYSA-N
MW463.64 g/mol
LogP3.18
Rot. Bonds6

About 5-(3,5-dimethylpiperidin-1-yl)sulfonyl-3-methyl-N-[2-(oxan-4-yl)ethyl]-2,3-dihydro-1H-indole-2-carboxamide

5-(3,5-dimethylpiperidin-1-yl)sulfonyl-3-methyl-N-[2-(oxan-4-yl)ethyl]-2,3-dihydro-1H-indole-2-carboxamide (PubChem CID 70985315) has the molecular formula C24H37N3O4S and a molecular weight of 463.64 g/mol. Its IUPAC name is 5-(3,5-dimethylpiperidin-1-yl)sulfonyl-3-methyl-N-[2-(oxan-4-yl)ethyl]-2,3-dihydro-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-(3,5-dimethylpiperidin-1-yl)sulfonyl-3-methyl-N-[2-(oxan-4-yl)ethyl]-2,3-dihydro-1H-indole-2-carboxamide
PubChem CID70985315
Molecular FormulaC24H37N3O4S
Molecular Weight463.64 g/mol
Exact Mass463.25
IUPAC Name5-(3,5-dimethylpiperidin-1-yl)sulfonyl-3-methyl-N-[2-(oxan-4-yl)ethyl]-2,3-dihydro-1H-indole-2-carboxamide
SMILESCC1CC(C)CN(S(=O)(=O)c2ccc3c(c2)C(C)C(C(=O)NCCC2CCOCC2)N3)C1
InChIInChI=1S/C24H37N3O4S/c1-16-12-17(2)15-27(14-16)32(29,30)20-4-5-22-21(13-20)18(3)23(26-22)24(28)25-9-6-19-7-10-31-11-8-19/h4-5,13,16-19,23,26H,6-12,14-15H2,1-3H3,(H,25,28)
InChIKeyYLKUILLOGVATJI-UHFFFAOYSA-N
XLogP3.18
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.64
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(Z)-3-[5-(3,5-dimethylpiperidin-1-yl)sulfonyl-2-methylphenyl]-2-(methylamino)-N-[2-(oxan-4-yl)ethyl]but-2-enamide
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5-(azepan-1-ylsulfonyl)-N-[2-(oxan-4-yl)ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 70985408
[3-methyl-5-(4-methylpiperidin-1-yl)sulfonyl-2,3-dihydro-1H-indol-2-yl]-pyrrolidin-1-ylmethanone
CID 70792595
2-[6-[(3S,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-2-oxo-1,3-benzoxazol-3-yl]-N-propylacetamide
CID 92542313
6-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-3,4-dihydro-1H-quinolin-2-one
CID 7012461
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CID 91193182
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CID 126479356
5-(3,5-dimethylpiperidin-1-yl)sulfonyl-2-methylbenzoic acid
CID 43079490
5-(3,5-dimethylpiperidin-1-yl)sulfonyl-2-methylbenzamide
CID 46406612
N-butyl-4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylbenzamide
CID 9414256
N-cyclopropyl-3-(3,5-dimethylpiperidin-1-yl)sulfonylbenzamide
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N-[4-[(3S,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-2-nitrophenyl]-N',N'-dimethylethane-1,2-diamine
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Frequently Asked Questions

What is the IUPAC name of 5-(3,5-dimethylpiperidin-1-yl)sulfonyl-3-methyl-N-[2-(oxan-4-yl)ethyl]-2,3-dihydro-1H-indole-2-carboxamide?
The IUPAC name of 5-(3,5-dimethylpiperidin-1-yl)sulfonyl-3-methyl-N-[2-(oxan-4-yl)ethyl]-2,3-dihydro-1H-indole-2-carboxamide (CID 70985315) is 5-(3,5-dimethylpiperidin-1-yl)sulfonyl-3-methyl-N-[2-(oxan-4-yl)ethyl]-2,3-dihydro-1H-indole-2-carboxamide.
What is the SMILES notation for 5-(3,5-dimethylpiperidin-1-yl)sulfonyl-3-methyl-N-[2-(oxan-4-yl)ethyl]-2,3-dihydro-1H-indole-2-carboxamide?
The canonical SMILES for 5-(3,5-dimethylpiperidin-1-yl)sulfonyl-3-methyl-N-[2-(oxan-4-yl)ethyl]-2,3-dihydro-1H-indole-2-carboxamide is CC1CC(C)CN(S(=O)(=O)c2ccc3c(c2)C(C)C(C(=O)NCCC2CCOCC2)N3)C1.
What is the InChIKey of 5-(3,5-dimethylpiperidin-1-yl)sulfonyl-3-methyl-N-[2-(oxan-4-yl)ethyl]-2,3-dihydro-1H-indole-2-carboxamide?
The InChIKey is YLKUILLOGVATJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H37N3O4S/c1-16-12-17(2)15-27(14-16)32(29,30)20-4-5-22-21(13-20)18(3)23(26-22)24(28)25-9-6-19-7-10-31-11-8-19/h4-5,13,16-19,23,26H,6-12,14-15H2,1-3H3,(H,25,28).
What are the key properties of 5-(3,5-dimethylpiperidin-1-yl)sulfonyl-3-methyl-N-[2-(oxan-4-yl)ethyl]-2,3-dihydro-1H-indole-2-carboxamide?
5-(3,5-dimethylpiperidin-1-yl)sulfonyl-3-methyl-N-[2-(oxan-4-yl)ethyl]-2,3-dihydro-1H-indole-2-carboxamide has a molecular weight of 463.64 g/mol, XLogP of 3.18, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-dimethylpiperidin-1-yl)sulfonyl-3-methyl-N-[2-(oxan-4-yl)ethyl]-2,3-dihydro-1H-indole-2-carboxamide is sourced from PubChem (CID 70985315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).