N-ethyl-1-(1H-indazol-6-ylsulfonyl)-N-[(2-methylphenyl)methyl]piperidine-4-carboxamide

C23H28N4O3S — CID 71737677

IUPACN-ethyl-1-(1H-indazol-6-ylsulfonyl)-N-[(2-methylphenyl)methyl]piperidine-4-carboxamide
SMILESCCN(Cc1ccccc1C)C(=O)C1CCN(S(=O)(=O)c2ccc3cn[nH]c3c2)CC1
InChIInChI=1S/C23H28N4O3S/c1-3-26(16-20-7-5-4-6-17(20)2)23(28)18-10-12-27(13-11-18)31(29,30)21-9-8-19-15-24-25-22(19)14-21/h4-9,14-15,18H,3,10-13,16H2,1-2H3,(H,24,25)
InChIKeyHZQJDXYYDLHWNM-UHFFFAOYSA-N
MW440.57 g/mol
LogP3.32
Rot. Bonds6

About N-ethyl-1-(1H-indazol-6-ylsulfonyl)-N-[(2-methylphenyl)methyl]piperidine-4-carboxamide

N-ethyl-1-(1H-indazol-6-ylsulfonyl)-N-[(2-methylphenyl)methyl]piperidine-4-carboxamide (PubChem CID 71737677) has the molecular formula C23H28N4O3S and a molecular weight of 440.57 g/mol. Its IUPAC name is N-ethyl-1-(1H-indazol-6-ylsulfonyl)-N-[(2-methylphenyl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-ethyl-1-(1H-indazol-6-ylsulfonyl)-N-[(2-methylphenyl)methyl]piperidine-4-carboxamide
PubChem CID71737677
Molecular FormulaC23H28N4O3S
Molecular Weight440.57 g/mol
Exact Mass440.19
IUPAC NameN-ethyl-1-(1H-indazol-6-ylsulfonyl)-N-[(2-methylphenyl)methyl]piperidine-4-carboxamide
SMILESCCN(Cc1ccccc1C)C(=O)C1CCN(S(=O)(=O)c2ccc3cn[nH]c3c2)CC1
InChIInChI=1S/C23H28N4O3S/c1-3-26(16-20-7-5-4-6-17(20)2)23(28)18-10-12-27(13-11-18)31(29,30)21-9-8-19-15-24-25-22(19)14-21/h4-9,14-15,18H,3,10-13,16H2,1-2H3,(H,24,25)
InChIKeyHZQJDXYYDLHWNM-UHFFFAOYSA-N
XLogP3.32
TPSA86.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.57
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(1H-indazol-6-ylsulfonyl)-N-[(2-methylphenyl)methyl]piperidine-4-carboxamide?
The IUPAC name of N-ethyl-1-(1H-indazol-6-ylsulfonyl)-N-[(2-methylphenyl)methyl]piperidine-4-carboxamide (CID 71737677) is N-ethyl-1-(1H-indazol-6-ylsulfonyl)-N-[(2-methylphenyl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for N-ethyl-1-(1H-indazol-6-ylsulfonyl)-N-[(2-methylphenyl)methyl]piperidine-4-carboxamide?
The canonical SMILES for N-ethyl-1-(1H-indazol-6-ylsulfonyl)-N-[(2-methylphenyl)methyl]piperidine-4-carboxamide is CCN(Cc1ccccc1C)C(=O)C1CCN(S(=O)(=O)c2ccc3cn[nH]c3c2)CC1.
What is the InChIKey of N-ethyl-1-(1H-indazol-6-ylsulfonyl)-N-[(2-methylphenyl)methyl]piperidine-4-carboxamide?
The InChIKey is HZQJDXYYDLHWNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O3S/c1-3-26(16-20-7-5-4-6-17(20)2)23(28)18-10-12-27(13-11-18)31(29,30)21-9-8-19-15-24-25-22(19)14-21/h4-9,14-15,18H,3,10-13,16H2,1-2H3,(H,24,25).
What are the key properties of N-ethyl-1-(1H-indazol-6-ylsulfonyl)-N-[(2-methylphenyl)methyl]piperidine-4-carboxamide?
N-ethyl-1-(1H-indazol-6-ylsulfonyl)-N-[(2-methylphenyl)methyl]piperidine-4-carboxamide has a molecular weight of 440.57 g/mol, XLogP of 3.32, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(1H-indazol-6-ylsulfonyl)-N-[(2-methylphenyl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 71737677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).