N-benzyl-N-ethyl-1-(1-methylindazol-5-yl)sulfonylpiperidine-4-carboxamide

C23H28N4O3S — CID 71737755

IUPACN-benzyl-N-ethyl-1-(1-methylindazol-5-yl)sulfonylpiperidine-4-carboxamide
SMILESCCN(Cc1ccccc1)C(=O)C1CCN(S(=O)(=O)c2ccc3c(cnn3C)c2)CC1
InChIInChI=1S/C23H28N4O3S/c1-3-26(17-18-7-5-4-6-8-18)23(28)19-11-13-27(14-12-19)31(29,30)21-9-10-22-20(15-21)16-24-25(22)2/h4-10,15-16,19H,3,11-14,17H2,1-2H3
InChIKeyYBEUYQWYOQHLIC-UHFFFAOYSA-N
MW440.57 g/mol
LogP3.02
Rot. Bonds6

About N-benzyl-N-ethyl-1-(1-methylindazol-5-yl)sulfonylpiperidine-4-carboxamide

N-benzyl-N-ethyl-1-(1-methylindazol-5-yl)sulfonylpiperidine-4-carboxamide (PubChem CID 71737755) has the molecular formula C23H28N4O3S and a molecular weight of 440.57 g/mol. Its IUPAC name is N-benzyl-N-ethyl-1-(1-methylindazol-5-yl)sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-ethyl-1-(1-methylindazol-5-yl)sulfonylpiperidine-4-carboxamide
PubChem CID71737755
Molecular FormulaC23H28N4O3S
Molecular Weight440.57 g/mol
Exact Mass440.19
IUPAC NameN-benzyl-N-ethyl-1-(1-methylindazol-5-yl)sulfonylpiperidine-4-carboxamide
SMILESCCN(Cc1ccccc1)C(=O)C1CCN(S(=O)(=O)c2ccc3c(cnn3C)c2)CC1
InChIInChI=1S/C23H28N4O3S/c1-3-26(17-18-7-5-4-6-8-18)23(28)19-11-13-27(14-12-19)31(29,30)21-9-10-22-20(15-21)16-24-25(22)2/h4-10,15-16,19H,3,11-14,17H2,1-2H3
InChIKeyYBEUYQWYOQHLIC-UHFFFAOYSA-N
XLogP3.02
TPSA75.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.57
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-ethyl-1-(1-methylindazol-5-yl)sulfonylpiperidine-4-carboxamide?
The IUPAC name of N-benzyl-N-ethyl-1-(1-methylindazol-5-yl)sulfonylpiperidine-4-carboxamide (CID 71737755) is N-benzyl-N-ethyl-1-(1-methylindazol-5-yl)sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-benzyl-N-ethyl-1-(1-methylindazol-5-yl)sulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-benzyl-N-ethyl-1-(1-methylindazol-5-yl)sulfonylpiperidine-4-carboxamide is CCN(Cc1ccccc1)C(=O)C1CCN(S(=O)(=O)c2ccc3c(cnn3C)c2)CC1.
What is the InChIKey of N-benzyl-N-ethyl-1-(1-methylindazol-5-yl)sulfonylpiperidine-4-carboxamide?
The InChIKey is YBEUYQWYOQHLIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O3S/c1-3-26(17-18-7-5-4-6-8-18)23(28)19-11-13-27(14-12-19)31(29,30)21-9-10-22-20(15-21)16-24-25(22)2/h4-10,15-16,19H,3,11-14,17H2,1-2H3.
What are the key properties of N-benzyl-N-ethyl-1-(1-methylindazol-5-yl)sulfonylpiperidine-4-carboxamide?
N-benzyl-N-ethyl-1-(1-methylindazol-5-yl)sulfonylpiperidine-4-carboxamide has a molecular weight of 440.57 g/mol, XLogP of 3.02, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-ethyl-1-(1-methylindazol-5-yl)sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 71737755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).