(3R)-1-[[(2S)-1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]sulfonyl]-N-(furan-2-ylmethyl)piperidine-3-carboxamide

C24H29N3O5S — CID 92688096

IUPAC(3R)-1-[[(2S)-1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]sulfonyl]-N-(furan-2-ylmethyl)piperidine-3-carboxamide
SMILESC[C@H]1Cc2cc(S(=O)(=O)N3CCC[C@@H](C(=O)NCc4ccco4)C3)ccc2N1C(=O)C1CC1
InChIInChI=1S/C24H29N3O5S/c1-16-12-19-13-21(8-9-22(19)27(16)24(29)17-6-7-17)33(30,31)26-10-2-4-18(15-26)23(28)25-14-20-5-3-11-32-20/h3,5,8-9,11,13,16-18H,2,4,6-7,10,12,14-15H2,1H3,(H,25,28)/t16-,18+/m0/s1
InChIKeyHPYRHZHTGPKXGK-FUHWJXTLSA-N
MW471.58 g/mol
LogP2.68
Rot. Bonds6

About (3R)-1-[[(2S)-1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]sulfonyl]-N-(furan-2-ylmethyl)piperidine-3-carboxamide

(3R)-1-[[(2S)-1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]sulfonyl]-N-(furan-2-ylmethyl)piperidine-3-carboxamide (PubChem CID 92688096) has the molecular formula C24H29N3O5S and a molecular weight of 471.58 g/mol. Its IUPAC name is (3R)-1-[[(2S)-1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]sulfonyl]-N-(furan-2-ylmethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-[[(2S)-1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]sulfonyl]-N-(furan-2-ylmethyl)piperidine-3-carboxamide
PubChem CID92688096
Molecular FormulaC24H29N3O5S
Molecular Weight471.58 g/mol
Exact Mass471.18
IUPAC Name(3R)-1-[[(2S)-1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]sulfonyl]-N-(furan-2-ylmethyl)piperidine-3-carboxamide
SMILESC[C@H]1Cc2cc(S(=O)(=O)N3CCC[C@@H](C(=O)NCc4ccco4)C3)ccc2N1C(=O)C1CC1
InChIInChI=1S/C24H29N3O5S/c1-16-12-19-13-21(8-9-22(19)27(16)24(29)17-6-7-17)33(30,31)26-10-2-4-18(15-26)23(28)25-14-20-5-3-11-32-20/h3,5,8-9,11,13,16-18H,2,4,6-7,10,12,14-15H2,1H3,(H,25,28)/t16-,18+/m0/s1
InChIKeyHPYRHZHTGPKXGK-FUHWJXTLSA-N
XLogP2.68
TPSA99.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.58
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3R)-1-[[(2S)-1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]sulfonyl]-N-(furan-2-ylmethyl)piperidine-3-carboxamide with MolForge

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Related Compounds

1-[[1-(cyclobutanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]sulfonyl]-N-(furan-2-ylmethyl)piperidine-4-carboxamide
CID 20911735
1-[[1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]sulfonyl]-N-(furan-2-ylmethyl)piperidine-4-carboxamide
CID 20902125
(3R)-N-benzyl-1-[[(2S)-1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]sulfonyl]piperidine-3-carboxamide
CID 92688098
(3R)-1-[[(2R)-1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]sulfonyl]-N-(2-phenylethyl)piperidine-3-carboxamide
CID 92688081
1-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonyl]-N-(furan-2-ylmethyl)piperidine-3-carboxamide
CID 22583517
(3R)-N-cyclohexyl-1-[[(2S)-1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]sulfonyl]piperidine-3-carboxamide
CID 92688064
cyclopropyl-[(2R)-2-methyl-5-[(3R)-3-methylpiperidin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]methanone
CID 99731198
cyclopropyl-[(2R)-2-methyl-5-[(3S)-3-methylpiperidin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]methanone
CID 124770097
(3R)-1-[[(2R)-1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]sulfonyl]-N-[(1S)-1-phenylethyl]piperidine-3-carboxamide
CID 92688078
cyclopropyl-[5-[3-(3,5-dimethylpiperidine-1-carbonyl)piperidin-1-yl]sulfonyl-2-methyl-2,3-dihydroindol-1-yl]methanone
CID 20902166
(3R)-1-[[(2R)-1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]sulfonyl]-N-(3-ethylphenyl)piperidine-3-carboxamide
CID 99761008
3-[[(2R)-1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]-N-(furan-2-ylmethyl)propanamide
CID 92688041

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[[(2S)-1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]sulfonyl]-N-(furan-2-ylmethyl)piperidine-3-carboxamide?
The IUPAC name of (3R)-1-[[(2S)-1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]sulfonyl]-N-(furan-2-ylmethyl)piperidine-3-carboxamide (CID 92688096) is (3R)-1-[[(2S)-1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]sulfonyl]-N-(furan-2-ylmethyl)piperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-[[(2S)-1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]sulfonyl]-N-(furan-2-ylmethyl)piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-[[(2S)-1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]sulfonyl]-N-(furan-2-ylmethyl)piperidine-3-carboxamide is C[C@H]1Cc2cc(S(=O)(=O)N3CCC[C@@H](C(=O)NCc4ccco4)C3)ccc2N1C(=O)C1CC1.
What is the InChIKey of (3R)-1-[[(2S)-1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]sulfonyl]-N-(furan-2-ylmethyl)piperidine-3-carboxamide?
The InChIKey is HPYRHZHTGPKXGK-FUHWJXTLSA-N. The full InChI is InChI=1S/C24H29N3O5S/c1-16-12-19-13-21(8-9-22(19)27(16)24(29)17-6-7-17)33(30,31)26-10-2-4-18(15-26)23(28)25-14-20-5-3-11-32-20/h3,5,8-9,11,13,16-18H,2,4,6-7,10,12,14-15H2,1H3,(H,25,28)/t16-,18+/m0/s1.
What are the key properties of (3R)-1-[[(2S)-1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]sulfonyl]-N-(furan-2-ylmethyl)piperidine-3-carboxamide?
(3R)-1-[[(2S)-1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]sulfonyl]-N-(furan-2-ylmethyl)piperidine-3-carboxamide has a molecular weight of 471.58 g/mol, XLogP of 2.68, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[[(2S)-1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]sulfonyl]-N-(furan-2-ylmethyl)piperidine-3-carboxamide is sourced from PubChem (CID 92688096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).