N-[4-[(1-benzyl-3,3-dimethylpiperidin-4-yl)sulfamoyl]naphthalen-1-yl]-2-methylbenzamide

C32H35N3O3S — CID 59656462

IUPACN-[4-[(1-benzyl-3,3-dimethylpiperidin-4-yl)sulfamoyl]naphthalen-1-yl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)Nc1ccc(S(=O)(=O)NC2CCN(Cc3ccccc3)CC2(C)C)c2ccccc12
InChIInChI=1S/C32H35N3O3S/c1-23-11-7-8-14-25(23)31(36)33-28-17-18-29(27-16-10-9-15-26(27)28)39(37,38)34-30-19-20-35(22-32(30,2)3)21-24-12-5-4-6-13-24/h4-18,30,34H,19-22H2,1-3H3,(H,33,36)
InChIKeyXUBXVBBZFZNADL-UHFFFAOYSA-N
MW541.72 g/mol
LogP5.98
Rot. Bonds7

About N-[4-[(1-benzyl-3,3-dimethylpiperidin-4-yl)sulfamoyl]naphthalen-1-yl]-2-methylbenzamide

N-[4-[(1-benzyl-3,3-dimethylpiperidin-4-yl)sulfamoyl]naphthalen-1-yl]-2-methylbenzamide (PubChem CID 59656462) has the molecular formula C32H35N3O3S and a molecular weight of 541.72 g/mol. Its IUPAC name is N-[4-[(1-benzyl-3,3-dimethylpiperidin-4-yl)sulfamoyl]naphthalen-1-yl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[4-[(1-benzyl-3,3-dimethylpiperidin-4-yl)sulfamoyl]naphthalen-1-yl]-2-methylbenzamide
PubChem CID59656462
Molecular FormulaC32H35N3O3S
Molecular Weight541.72 g/mol
Exact Mass541.24
IUPAC NameN-[4-[(1-benzyl-3,3-dimethylpiperidin-4-yl)sulfamoyl]naphthalen-1-yl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)Nc1ccc(S(=O)(=O)NC2CCN(Cc3ccccc3)CC2(C)C)c2ccccc12
InChIInChI=1S/C32H35N3O3S/c1-23-11-7-8-14-25(23)31(36)33-28-17-18-29(27-16-10-9-15-26(27)28)39(37,38)34-30-19-20-35(22-32(30,2)3)21-24-12-5-4-6-13-24/h4-18,30,34H,19-22H2,1-3H3,(H,33,36)
InChIKeyXUBXVBBZFZNADL-UHFFFAOYSA-N
XLogP5.98
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500541.72
LogP ≤ 55.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 3,3-dimethyl-4-[[4-[(2-methylbenzoyl)amino]naphthalen-1-yl]sulfonylamino]piperidine-1-carboxylate
CID 59656561
methyl (3S,4S)-1-benzyl-4-[[4-[(2-methylbenzoyl)amino]naphthalen-1-yl]sulfonylamino]piperidine-3-carboxylate
CID 59718047
N-[4-[[1-(2-aminoacetyl)piperidin-4-yl]sulfamoyl]naphthalen-1-yl]-2-methylbenzamide
CID 10254576
2-methyl-N-[4-[1-(4-methylpiperidin-1-yl)propan-2-ylsulfamoyl]naphthalen-1-yl]benzamide
CID 167339772
(3S,4R)-3-ethyl-N,N-dimethyl-4-[[4-[(2-methylbenzoyl)amino]naphthalen-1-yl]sulfonylamino]piperidine-1-carboxamide
CID 66998687
N-[4-[[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]sulfamoyl]naphthalen-1-yl]-2-methylbenzamide
CID 10255197
ethyl (3R,4R)-3-methyl-4-[[4-[(2-methylbenzoyl)amino]naphthalen-1-yl]sulfonylamino]piperidine-1-carboxylate
CID 59656310
N-[4-[[(3S,4R)-1-butanoyl-3-methylpiperidin-4-yl]sulfamoyl]naphthalen-1-yl]-2-methylbenzamide
CID 59656421
N,N,3,5-tetramethyl-4-[[4-[(2-methylbenzoyl)amino]naphthalen-1-yl]sulfonylamino]piperidine-1-carboxamide
CID 66998196
4-[3-[[4-[(2-methylbenzoyl)amino]naphthalen-1-yl]sulfonylamino]propyl]piperidine-1-carboxamide
CID 90993185
2-methyl-N-[4-[[1-(pyrrolidine-1-carboximidoyl)piperidin-4-yl]sulfamoyl]naphthalen-1-yl]benzamide
CID 59656510
ethyl 4-methyl-4-[[4-[(2-methylbenzoyl)amino]naphthalen-1-yl]sulfonylamino]piperidine-1-carboxylate
CID 59656535

Frequently Asked Questions

What is the IUPAC name of N-[4-[(1-benzyl-3,3-dimethylpiperidin-4-yl)sulfamoyl]naphthalen-1-yl]-2-methylbenzamide?
The IUPAC name of N-[4-[(1-benzyl-3,3-dimethylpiperidin-4-yl)sulfamoyl]naphthalen-1-yl]-2-methylbenzamide (CID 59656462) is N-[4-[(1-benzyl-3,3-dimethylpiperidin-4-yl)sulfamoyl]naphthalen-1-yl]-2-methylbenzamide.
What is the SMILES notation for N-[4-[(1-benzyl-3,3-dimethylpiperidin-4-yl)sulfamoyl]naphthalen-1-yl]-2-methylbenzamide?
The canonical SMILES for N-[4-[(1-benzyl-3,3-dimethylpiperidin-4-yl)sulfamoyl]naphthalen-1-yl]-2-methylbenzamide is Cc1ccccc1C(=O)Nc1ccc(S(=O)(=O)NC2CCN(Cc3ccccc3)CC2(C)C)c2ccccc12.
What is the InChIKey of N-[4-[(1-benzyl-3,3-dimethylpiperidin-4-yl)sulfamoyl]naphthalen-1-yl]-2-methylbenzamide?
The InChIKey is XUBXVBBZFZNADL-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H35N3O3S/c1-23-11-7-8-14-25(23)31(36)33-28-17-18-29(27-16-10-9-15-26(27)28)39(37,38)34-30-19-20-35(22-32(30,2)3)21-24-12-5-4-6-13-24/h4-18,30,34H,19-22H2,1-3H3,(H,33,36).
What are the key properties of N-[4-[(1-benzyl-3,3-dimethylpiperidin-4-yl)sulfamoyl]naphthalen-1-yl]-2-methylbenzamide?
N-[4-[(1-benzyl-3,3-dimethylpiperidin-4-yl)sulfamoyl]naphthalen-1-yl]-2-methylbenzamide has a molecular weight of 541.72 g/mol, XLogP of 5.98, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(1-benzyl-3,3-dimethylpiperidin-4-yl)sulfamoyl]naphthalen-1-yl]-2-methylbenzamide is sourced from PubChem (CID 59656462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).