N-[(1R,2R)-2-benzamidocyclohexyl]-1-naphthalen-1-ylsulfonylpiperidine-4-carboxamide

C29H33N3O4S — CID 51071217

IUPACN-[(1R,2R)-2-benzamidocyclohexyl]-1-naphthalen-1-ylsulfonylpiperidine-4-carboxamide
SMILESO=C(N[C@@H]1CCCC[C@H]1NC(=O)C1CCN(S(=O)(=O)c2cccc3ccccc23)CC1)c1ccccc1
InChIInChI=1S/C29H33N3O4S/c33-28(22-10-2-1-3-11-22)30-25-14-6-7-15-26(25)31-29(34)23-17-19-32(20-18-23)37(35,36)27-16-8-12-21-9-4-5-13-24(21)27/h1-5,8-13,16,23,25-26H,6-7,14-15,17-20H2,(H,30,33)(H,31,34)/t25-,26-/m1/s1
InChIKeyLVFZETAZNOERFP-CLJLJLNGSA-N
MW519.67 g/mol
LogP4.10
Rot. Bonds6

About N-[(1R,2R)-2-benzamidocyclohexyl]-1-naphthalen-1-ylsulfonylpiperidine-4-carboxamide

N-[(1R,2R)-2-benzamidocyclohexyl]-1-naphthalen-1-ylsulfonylpiperidine-4-carboxamide (PubChem CID 51071217) has the molecular formula C29H33N3O4S and a molecular weight of 519.67 g/mol. Its IUPAC name is N-[(1R,2R)-2-benzamidocyclohexyl]-1-naphthalen-1-ylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(1R,2R)-2-benzamidocyclohexyl]-1-naphthalen-1-ylsulfonylpiperidine-4-carboxamide
PubChem CID51071217
Molecular FormulaC29H33N3O4S
Molecular Weight519.67 g/mol
Exact Mass519.22
IUPAC NameN-[(1R,2R)-2-benzamidocyclohexyl]-1-naphthalen-1-ylsulfonylpiperidine-4-carboxamide
SMILESO=C(N[C@@H]1CCCC[C@H]1NC(=O)C1CCN(S(=O)(=O)c2cccc3ccccc23)CC1)c1ccccc1
InChIInChI=1S/C29H33N3O4S/c33-28(22-10-2-1-3-11-22)30-25-14-6-7-15-26(25)31-29(34)23-17-19-32(20-18-23)37(35,36)27-16-8-12-21-9-4-5-13-24(21)27/h1-5,8-13,16,23,25-26H,6-7,14-15,17-20H2,(H,30,33)(H,31,34)/t25-,26-/m1/s1
InChIKeyLVFZETAZNOERFP-CLJLJLNGSA-N
XLogP4.10
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500519.67
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1R,2R)-2-benzamidocyclohexyl]-1-(benzenesulfonyl)piperidine-4-carboxamide
CID 51071212
N-[(1R,2R)-2-benzamidocyclohexyl]-1-ethylsulfonylpiperidine-4-carboxamide
CID 51071678
N-[(1R,2R)-2-benzamidocyclohexyl]-1-(2,5-dichlorophenyl)sulfonylpiperidine-4-carboxamide
CID 51071677
N-[(2R)-2-benzamidocyclohexyl]-1-octylsulfonylpiperidine-4-carboxamide
CID 46104149
N-[(1R,2R)-2-benzamidocyclohexyl]-1-propanoylpiperidine-4-carboxamide
CID 51071021
cyclopentyl-(4-naphthalen-1-ylsulfonylpiperazin-1-yl)methanone
CID 24945401
4-N-[(2R)-2-benzamidocyclohexyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide
CID 46103923
N-[(1R,2R)-2-benzamidocyclohexyl]-1-(3-phenylpropanoyl)piperidine-4-carboxamide
CID 51071042
N-[(1R,2R)-2-benzamidocyclohexyl]-1-(3-fluorobenzoyl)piperidine-4-carboxamide
CID 51071046
4-(benzenesulfonyl)-1-naphthalen-1-ylsulfonylpiperidine
CID 90589478
N-[(1R,2R)-2-benzamidocyclohexyl]-1-octylsulfonylpiperidine-3-carboxamide
CID 51070997
1-(2-fluorophenyl)sulfonyl-N-naphthalen-1-ylpiperidine-4-carboxamide
CID 26688330

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-benzamidocyclohexyl]-1-naphthalen-1-ylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-[(1R,2R)-2-benzamidocyclohexyl]-1-naphthalen-1-ylsulfonylpiperidine-4-carboxamide (CID 51071217) is N-[(1R,2R)-2-benzamidocyclohexyl]-1-naphthalen-1-ylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-[(1R,2R)-2-benzamidocyclohexyl]-1-naphthalen-1-ylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-[(1R,2R)-2-benzamidocyclohexyl]-1-naphthalen-1-ylsulfonylpiperidine-4-carboxamide is O=C(N[C@@H]1CCCC[C@H]1NC(=O)C1CCN(S(=O)(=O)c2cccc3ccccc23)CC1)c1ccccc1.
What is the InChIKey of N-[(1R,2R)-2-benzamidocyclohexyl]-1-naphthalen-1-ylsulfonylpiperidine-4-carboxamide?
The InChIKey is LVFZETAZNOERFP-CLJLJLNGSA-N. The full InChI is InChI=1S/C29H33N3O4S/c33-28(22-10-2-1-3-11-22)30-25-14-6-7-15-26(25)31-29(34)23-17-19-32(20-18-23)37(35,36)27-16-8-12-21-9-4-5-13-24(21)27/h1-5,8-13,16,23,25-26H,6-7,14-15,17-20H2,(H,30,33)(H,31,34)/t25-,26-/m1/s1.
What are the key properties of N-[(1R,2R)-2-benzamidocyclohexyl]-1-naphthalen-1-ylsulfonylpiperidine-4-carboxamide?
N-[(1R,2R)-2-benzamidocyclohexyl]-1-naphthalen-1-ylsulfonylpiperidine-4-carboxamide has a molecular weight of 519.67 g/mol, XLogP of 4.10, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-2-benzamidocyclohexyl]-1-naphthalen-1-ylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 51071217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).