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

C23H28N4O3S2 — CID 71737651

IUPACN-ethyl-1-(1H-indazol-6-ylsulfonyl)-N-[(4-methylsulfanylphenyl)methyl]piperidine-4-carboxamide
SMILESCCN(Cc1ccc(SC)cc1)C(=O)C1CCN(S(=O)(=O)c2ccc3cn[nH]c3c2)CC1
InChIInChI=1S/C23H28N4O3S2/c1-3-26(16-17-4-7-20(31-2)8-5-17)23(28)18-10-12-27(13-11-18)32(29,30)21-9-6-19-15-24-25-22(19)14-21/h4-9,14-15,18H,3,10-13,16H2,1-2H3,(H,24,25)
InChIKeyFVWKLPDFGLFUDB-UHFFFAOYSA-N
MW472.64 g/mol
LogP3.73
Rot. Bonds7

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

N-ethyl-1-(1H-indazol-6-ylsulfonyl)-N-[(4-methylsulfanylphenyl)methyl]piperidine-4-carboxamide (PubChem CID 71737651) has the molecular formula C23H28N4O3S2 and a molecular weight of 472.64 g/mol. Its IUPAC name is N-ethyl-1-(1H-indazol-6-ylsulfonyl)-N-[(4-methylsulfanylphenyl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-ethyl-1-(1H-indazol-6-ylsulfonyl)-N-[(4-methylsulfanylphenyl)methyl]piperidine-4-carboxamide
PubChem CID71737651
Molecular FormulaC23H28N4O3S2
Molecular Weight472.64 g/mol
Exact Mass472.16
IUPAC NameN-ethyl-1-(1H-indazol-6-ylsulfonyl)-N-[(4-methylsulfanylphenyl)methyl]piperidine-4-carboxamide
SMILESCCN(Cc1ccc(SC)cc1)C(=O)C1CCN(S(=O)(=O)c2ccc3cn[nH]c3c2)CC1
InChIInChI=1S/C23H28N4O3S2/c1-3-26(16-17-4-7-20(31-2)8-5-17)23(28)18-10-12-27(13-11-18)32(29,30)21-9-6-19-15-24-25-22(19)14-21/h4-9,14-15,18H,3,10-13,16H2,1-2H3,(H,24,25)
InChIKeyFVWKLPDFGLFUDB-UHFFFAOYSA-N
XLogP3.73
TPSA86.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.64
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-cyanophenyl)methyl]-N-ethyl-1-(1H-indazol-6-ylsulfonyl)piperidine-4-carboxamide
CID 71737649
1-(3,4-dimethylphenyl)sulfonyl-N-methyl-N-[(4-methylsulfanylphenyl)methyl]piperidine-4-carboxamide
CID 26619213
1-(benzenesulfonyl)-N-benzyl-N-ethylpiperidine-4-carboxamide
CID 26415263
N-cyclopropyl-1-(1H-indazol-6-ylsulfonyl)-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
CID 71737786
N,N-diethyl-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 1090954
N-benzyl-N-ethyl-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 46438676
N-benzyl-N-ethyl-1-[(3-oxo-4H-1,4-benzoxazin-6-yl)sulfonyl]piperidine-4-carboxamide
CID 53006309
N-[2-(dimethylamino)ethyl]-1-(3,4-dimethylphenyl)sulfonyl-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
CID 55980411
N-benzyl-N-ethyl-1-(3-methoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 71737574
1-(1,3-benzodioxol-5-ylsulfonyl)-N,N-diethylpiperidine-4-carboxamide
CID 113005310
1-(3,4-dimethylphenyl)sulfonyl-N-[(4-ethoxy-3-methoxyphenyl)methyl]-N-ethylpiperidine-4-carboxamide
CID 24548519
N-[[4-(dimethylamino)phenyl]methyl]-N-ethyl-1-ethylsulfonylpiperidine-4-carboxamide
CID 55455065

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(1H-indazol-6-ylsulfonyl)-N-[(4-methylsulfanylphenyl)methyl]piperidine-4-carboxamide?
The IUPAC name of N-ethyl-1-(1H-indazol-6-ylsulfonyl)-N-[(4-methylsulfanylphenyl)methyl]piperidine-4-carboxamide (CID 71737651) is N-ethyl-1-(1H-indazol-6-ylsulfonyl)-N-[(4-methylsulfanylphenyl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for N-ethyl-1-(1H-indazol-6-ylsulfonyl)-N-[(4-methylsulfanylphenyl)methyl]piperidine-4-carboxamide?
The canonical SMILES for N-ethyl-1-(1H-indazol-6-ylsulfonyl)-N-[(4-methylsulfanylphenyl)methyl]piperidine-4-carboxamide is CCN(Cc1ccc(SC)cc1)C(=O)C1CCN(S(=O)(=O)c2ccc3cn[nH]c3c2)CC1.
What is the InChIKey of N-ethyl-1-(1H-indazol-6-ylsulfonyl)-N-[(4-methylsulfanylphenyl)methyl]piperidine-4-carboxamide?
The InChIKey is FVWKLPDFGLFUDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O3S2/c1-3-26(16-17-4-7-20(31-2)8-5-17)23(28)18-10-12-27(13-11-18)32(29,30)21-9-6-19-15-24-25-22(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-[(4-methylsulfanylphenyl)methyl]piperidine-4-carboxamide?
N-ethyl-1-(1H-indazol-6-ylsulfonyl)-N-[(4-methylsulfanylphenyl)methyl]piperidine-4-carboxamide has a molecular weight of 472.64 g/mol, XLogP of 3.73, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(1H-indazol-6-ylsulfonyl)-N-[(4-methylsulfanylphenyl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 71737651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).