1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N'-(2-methylbenzoyl)piperidine-4-carbohydrazide

C23H27N3O4S — CID 46807195

IUPAC1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N'-(2-methylbenzoyl)piperidine-4-carbohydrazide
SMILESCc1ccccc1C(=O)NNC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1
InChIInChI=1S/C23H27N3O4S/c1-16-5-2-3-8-21(16)23(28)25-24-22(27)18-11-13-26(14-12-18)31(29,30)20-10-9-17-6-4-7-19(17)15-20/h2-3,5,8-10,15,18H,4,6-7,11-14H2,1H3,(H,24,27)(H,25,28)
InChIKeySVBNJCIYOXLKHH-UHFFFAOYSA-N
MW441.55 g/mol
LogP2.35
Rot. Bonds4

About 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N'-(2-methylbenzoyl)piperidine-4-carbohydrazide

1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N'-(2-methylbenzoyl)piperidine-4-carbohydrazide (PubChem CID 46807195) has the molecular formula C23H27N3O4S and a molecular weight of 441.55 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N'-(2-methylbenzoyl)piperidine-4-carbohydrazide.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N'-(2-methylbenzoyl)piperidine-4-carbohydrazide
PubChem CID46807195
Molecular FormulaC23H27N3O4S
Molecular Weight441.55 g/mol
Exact Mass441.17
IUPAC Name1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N'-(2-methylbenzoyl)piperidine-4-carbohydrazide
SMILESCc1ccccc1C(=O)NNC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1
InChIInChI=1S/C23H27N3O4S/c1-16-5-2-3-8-21(16)23(28)25-24-22(27)18-11-13-26(14-12-18)31(29,30)20-10-9-17-6-4-7-19(17)15-20/h2-3,5,8-10,15,18H,4,6-7,11-14H2,1H3,(H,24,27)(H,25,28)
InChIKeySVBNJCIYOXLKHH-UHFFFAOYSA-N
XLogP2.35
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.55
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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'-(2-methylbenzoyl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carbohydrazide
CID 55349850
N-tert-butyl-1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidine-4-carboxamide
CID 51175570
N'-(2-bromobenzoyl)-1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carbohydrazide
CID 4807992
1-(3,4-dimethylphenyl)sulfonyl-N'-(2-fluorobenzoyl)piperidine-4-carbohydrazide
CID 26893734
N-(2-aminoethyl)-1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidine-4-carboxamide
CID 119385439
N-[2-[(2-fluorobenzoyl)amino]ethyl]-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidine-4-carboxamide
CID 55973791
1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N'-[2-(3-methylphenoxy)acetyl]piperidine-4-carbohydrazide
CID 30872420
N-(2-tert-butylphenyl)-1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidine-4-carboxamide
CID 30837294
1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-(5-methyl-1,3,4-oxadiazol-2-yl)piperidine-4-carboxamide
CID 8903061
[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 17407991

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N'-(2-methylbenzoyl)piperidine-4-carbohydrazide?
The IUPAC name of 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N'-(2-methylbenzoyl)piperidine-4-carbohydrazide (CID 46807195) is 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N'-(2-methylbenzoyl)piperidine-4-carbohydrazide.
What is the SMILES notation for 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N'-(2-methylbenzoyl)piperidine-4-carbohydrazide?
The canonical SMILES for 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N'-(2-methylbenzoyl)piperidine-4-carbohydrazide is Cc1ccccc1C(=O)NNC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1.
What is the InChIKey of 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N'-(2-methylbenzoyl)piperidine-4-carbohydrazide?
The InChIKey is SVBNJCIYOXLKHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O4S/c1-16-5-2-3-8-21(16)23(28)25-24-22(27)18-11-13-26(14-12-18)31(29,30)20-10-9-17-6-4-7-19(17)15-20/h2-3,5,8-10,15,18H,4,6-7,11-14H2,1H3,(H,24,27)(H,25,28).
What are the key properties of 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N'-(2-methylbenzoyl)piperidine-4-carbohydrazide?
1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N'-(2-methylbenzoyl)piperidine-4-carbohydrazide has a molecular weight of 441.55 g/mol, XLogP of 2.35, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N'-(2-methylbenzoyl)piperidine-4-carbohydrazide is sourced from PubChem (CID 46807195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).