1-[[(2R)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonyl]-N-(furan-2-ylmethyl)-N-methylpiperidine-4-carboxamide

C23H29N3O5S — CID 92687752

IUPAC1-[[(2R)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonyl]-N-(furan-2-ylmethyl)-N-methylpiperidine-4-carboxamide
SMILESCC(=O)N1c2ccc(S(=O)(=O)N3CCC(C(=O)N(C)Cc4ccco4)CC3)cc2C[C@H]1C
InChIInChI=1S/C23H29N3O5S/c1-16-13-19-14-21(6-7-22(19)26(16)17(2)27)32(29,30)25-10-8-18(9-11-25)23(28)24(3)15-20-5-4-12-31-20/h4-7,12,14,16,18H,8-11,13,15H2,1-3H3/t16-/m1/s1
InChIKeyWXQCRNLZPFGPCL-MRXNPFEDSA-N
MW459.57 g/mol
LogP2.64
Rot. Bonds5

About 1-[[(2R)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonyl]-N-(furan-2-ylmethyl)-N-methylpiperidine-4-carboxamide

1-[[(2R)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonyl]-N-(furan-2-ylmethyl)-N-methylpiperidine-4-carboxamide (PubChem CID 92687752) has the molecular formula C23H29N3O5S and a molecular weight of 459.57 g/mol. Its IUPAC name is 1-[[(2R)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonyl]-N-(furan-2-ylmethyl)-N-methylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[[(2R)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonyl]-N-(furan-2-ylmethyl)-N-methylpiperidine-4-carboxamide
PubChem CID92687752
Molecular FormulaC23H29N3O5S
Molecular Weight459.57 g/mol
Exact Mass459.18
IUPAC Name1-[[(2R)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonyl]-N-(furan-2-ylmethyl)-N-methylpiperidine-4-carboxamide
SMILESCC(=O)N1c2ccc(S(=O)(=O)N3CCC(C(=O)N(C)Cc4ccco4)CC3)cc2C[C@H]1C
InChIInChI=1S/C23H29N3O5S/c1-16-13-19-14-21(6-7-22(19)26(16)17(2)27)32(29,30)25-10-8-18(9-11-25)23(28)24(3)15-20-5-4-12-31-20/h4-7,12,14,16,18H,8-11,13,15H2,1-3H3/t16-/m1/s1
InChIKeyWXQCRNLZPFGPCL-MRXNPFEDSA-N
XLogP2.64
TPSA91.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.57
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(furan-2-ylmethyl)-N-methyl-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidine-4-carboxamide
CID 27739638
1-[(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)sulfonyl]piperidine-4-carboxamide
CID 55508695
1-[[1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]sulfonyl]-N-(furan-2-ylmethyl)piperidine-4-carboxamide
CID 20902125
1-[[1-(cyclobutanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]sulfonyl]-N-(furan-2-ylmethyl)piperidine-4-carboxamide
CID 20911735
1-(dimethylsulfamoyl)-N-(furan-2-ylmethyl)-N-methylpiperidine-4-carboxamide
CID 70703147
1-[5-[(3R)-3-aminopyrrolidin-1-yl]sulfonyl-2-methyl-2,3-dihydroindol-1-yl]ethanone
CID 119962803
1-[2-methyl-5-(4-pyridin-4-ylpiperidin-1-yl)sulfonyl-2,3-dihydroindol-1-yl]ethanone
CID 22585605
1-[(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)sulfonyl]-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
CID 20901921
[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl] 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidine-4-carboxylate
CID 46809036
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
1-[5-[4-(3-aminopropoxy)piperidin-1-yl]sulfonyl-2-methyl-2,3-dihydroindol-1-yl]ethanone
CID 119992800
(2R)-1-acetyl-N-benzyl-N-methyl-5-morpholin-4-ylsulfonyl-2,3-dihydroindole-2-carboxamide
CID 92710593

Frequently Asked Questions

What is the IUPAC name of 1-[[(2R)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonyl]-N-(furan-2-ylmethyl)-N-methylpiperidine-4-carboxamide?
The IUPAC name of 1-[[(2R)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonyl]-N-(furan-2-ylmethyl)-N-methylpiperidine-4-carboxamide (CID 92687752) is 1-[[(2R)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonyl]-N-(furan-2-ylmethyl)-N-methylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[[(2R)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonyl]-N-(furan-2-ylmethyl)-N-methylpiperidine-4-carboxamide?
The canonical SMILES for 1-[[(2R)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonyl]-N-(furan-2-ylmethyl)-N-methylpiperidine-4-carboxamide is CC(=O)N1c2ccc(S(=O)(=O)N3CCC(C(=O)N(C)Cc4ccco4)CC3)cc2C[C@H]1C.
What is the InChIKey of 1-[[(2R)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonyl]-N-(furan-2-ylmethyl)-N-methylpiperidine-4-carboxamide?
The InChIKey is WXQCRNLZPFGPCL-MRXNPFEDSA-N. The full InChI is InChI=1S/C23H29N3O5S/c1-16-13-19-14-21(6-7-22(19)26(16)17(2)27)32(29,30)25-10-8-18(9-11-25)23(28)24(3)15-20-5-4-12-31-20/h4-7,12,14,16,18H,8-11,13,15H2,1-3H3/t16-/m1/s1.
What are the key properties of 1-[[(2R)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonyl]-N-(furan-2-ylmethyl)-N-methylpiperidine-4-carboxamide?
1-[[(2R)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonyl]-N-(furan-2-ylmethyl)-N-methylpiperidine-4-carboxamide has a molecular weight of 459.57 g/mol, XLogP of 2.64, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(2R)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonyl]-N-(furan-2-ylmethyl)-N-methylpiperidine-4-carboxamide is sourced from PubChem (CID 92687752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).