1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N'-[2-(3-methylphenoxy)acetyl]piperidine-4-carbohydrazide

C24H29N3O5S — CID 30872420

IUPAC1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N'-[2-(3-methylphenoxy)acetyl]piperidine-4-carbohydrazide
SMILESCc1cccc(OCC(=O)NNC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)c1
InChIInChI=1S/C24H29N3O5S/c1-17-4-2-7-21(14-17)32-16-23(28)25-26-24(29)19-10-12-27(13-11-19)33(30,31)22-9-8-18-5-3-6-20(18)15-22/h2,4,7-9,14-15,19H,3,5-6,10-13,16H2,1H3,(H,25,28)(H,26,29)
InChIKeyMCHQNQPYPWJSRX-UHFFFAOYSA-N
MW471.58 g/mol
LogP2.11
Rot. Bonds6

About 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N'-[2-(3-methylphenoxy)acetyl]piperidine-4-carbohydrazide

1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N'-[2-(3-methylphenoxy)acetyl]piperidine-4-carbohydrazide (PubChem CID 30872420) has the molecular formula C24H29N3O5S and a molecular weight of 471.58 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N'-[2-(3-methylphenoxy)acetyl]piperidine-4-carbohydrazide.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N'-[2-(3-methylphenoxy)acetyl]piperidine-4-carbohydrazide
PubChem CID30872420
Molecular FormulaC24H29N3O5S
Molecular Weight471.58 g/mol
Exact Mass471.18
IUPAC Name1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N'-[2-(3-methylphenoxy)acetyl]piperidine-4-carbohydrazide
SMILESCc1cccc(OCC(=O)NNC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)c1
InChIInChI=1S/C24H29N3O5S/c1-17-4-2-7-21(14-17)32-16-23(28)25-26-24(29)19-10-12-27(13-11-19)33(30,31)22-9-8-18-5-3-6-20(18)15-22/h2,4,7-9,14-15,19H,3,5-6,10-13,16H2,1H3,(H,25,28)(H,26,29)
InChIKeyMCHQNQPYPWJSRX-UHFFFAOYSA-N
XLogP2.11
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.58
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(3,5-dimethylphenyl) 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidine-4-carboxylate
CID 18274396
1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N'-(2-methylbenzoyl)piperidine-4-carbohydrazide
CID 46807195
1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-methylsulfonylpiperidine-4-carboxamide
CID 146154894
1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-hydroxypiperidine-4-carboxamide
CID 25358979
N-[[3-(2-methoxyethoxy)phenyl]methyl]-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidine-4-carboxamide
CID 55804539
2-(3-methylphenoxy)-1-(6-pyrrolidin-1-ylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 26466084
2-(3-methylphenoxy)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 9415053
N'-[2-(2,3-dihydro-1H-inden-5-yloxy)acetyl]-4-pyrrolidin-1-ylsulfonylbenzohydrazide
CID 4786821
N-tert-butyl-1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidine-4-carboxamide
CID 51175570
2-(3-methylphenoxy)-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]acetamide
CID 108736263
N-(2-aminoethyl)-1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidine-4-carboxamide
CID 119385439
N-[2-(methylamino)ethyl]-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidine-4-carboxamide
CID 119502196

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N'-[2-(3-methylphenoxy)acetyl]piperidine-4-carbohydrazide?
The IUPAC name of 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N'-[2-(3-methylphenoxy)acetyl]piperidine-4-carbohydrazide (CID 30872420) is 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N'-[2-(3-methylphenoxy)acetyl]piperidine-4-carbohydrazide.
What is the SMILES notation for 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N'-[2-(3-methylphenoxy)acetyl]piperidine-4-carbohydrazide?
The canonical SMILES for 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N'-[2-(3-methylphenoxy)acetyl]piperidine-4-carbohydrazide is Cc1cccc(OCC(=O)NNC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)c1.
What is the InChIKey of 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N'-[2-(3-methylphenoxy)acetyl]piperidine-4-carbohydrazide?
The InChIKey is MCHQNQPYPWJSRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O5S/c1-17-4-2-7-21(14-17)32-16-23(28)25-26-24(29)19-10-12-27(13-11-19)33(30,31)22-9-8-18-5-3-6-20(18)15-22/h2,4,7-9,14-15,19H,3,5-6,10-13,16H2,1H3,(H,25,28)(H,26,29).
What are the key properties of 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N'-[2-(3-methylphenoxy)acetyl]piperidine-4-carbohydrazide?
1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N'-[2-(3-methylphenoxy)acetyl]piperidine-4-carbohydrazide has a molecular weight of 471.58 g/mol, XLogP of 2.11, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N'-[2-(3-methylphenoxy)acetyl]piperidine-4-carbohydrazide is sourced from PubChem (CID 30872420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).