N-[4-[(1-butanoylpiperidin-4-yl)sulfamoyl]naphthalen-1-yl]-1-methylpiperidine-3-carboxamide

C26H36N4O4S — CID 59656562

IUPACN-[4-[(1-butanoylpiperidin-4-yl)sulfamoyl]naphthalen-1-yl]-1-methylpiperidine-3-carboxamide
SMILESCCCC(=O)N1CCC(NS(=O)(=O)c2ccc(NC(=O)C3CCCN(C)C3)c3ccccc23)CC1
InChIInChI=1S/C26H36N4O4S/c1-3-7-25(31)30-16-13-20(14-17-30)28-35(33,34)24-12-11-23(21-9-4-5-10-22(21)24)27-26(32)19-8-6-15-29(2)18-19/h4-5,9-12,19-20,28H,3,6-8,13-18H2,1-2H3,(H,27,32)
InChIKeyYZTIZEUBYBHYSY-UHFFFAOYSA-N
MW500.67 g/mol
LogP3.19
Rot. Bonds7

About N-[4-[(1-butanoylpiperidin-4-yl)sulfamoyl]naphthalen-1-yl]-1-methylpiperidine-3-carboxamide

N-[4-[(1-butanoylpiperidin-4-yl)sulfamoyl]naphthalen-1-yl]-1-methylpiperidine-3-carboxamide (PubChem CID 59656562) has the molecular formula C26H36N4O4S and a molecular weight of 500.67 g/mol. Its IUPAC name is N-[4-[(1-butanoylpiperidin-4-yl)sulfamoyl]naphthalen-1-yl]-1-methylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[4-[(1-butanoylpiperidin-4-yl)sulfamoyl]naphthalen-1-yl]-1-methylpiperidine-3-carboxamide
PubChem CID59656562
Molecular FormulaC26H36N4O4S
Molecular Weight500.67 g/mol
Exact Mass500.25
IUPAC NameN-[4-[(1-butanoylpiperidin-4-yl)sulfamoyl]naphthalen-1-yl]-1-methylpiperidine-3-carboxamide
SMILESCCCC(=O)N1CCC(NS(=O)(=O)c2ccc(NC(=O)C3CCCN(C)C3)c3ccccc23)CC1
InChIInChI=1S/C26H36N4O4S/c1-3-7-25(31)30-16-13-20(14-17-30)28-35(33,34)24-12-11-23(21-9-4-5-10-22(21)24)27-26(32)19-8-6-15-29(2)18-19/h4-5,9-12,19-20,28H,3,6-8,13-18H2,1-2H3,(H,27,32)
InChIKeyYZTIZEUBYBHYSY-UHFFFAOYSA-N
XLogP3.19
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.67
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[4-[(1-butanoylpiperidin-4-yl)sulfamoyl]naphthalen-1-yl]-1-methylpiperidine-3-carboxamide with MolForge

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Related Compounds

ethyl 4-[[4-(cyclohexanecarbonylamino)naphthalen-1-yl]sulfonylamino]piperidine-1-carboxylate
CID 10345358
5-[(1-butanoylpiperidin-4-yl)sulfamoyl]naphthalene-1-carboxylic acid
CID 69009615
N-[4-[[1-(2-aminoacetyl)piperidin-4-yl]sulfamoyl]naphthalen-1-yl]-2-methylbenzamide
CID 10254576
5-[(1-butanoylpiperidin-4-yl)sulfamoyl]-N-(2,3-dimethylphenyl)naphthalene-1-carboxamide
CID 59717992
N-[4-[[(3S,4R)-1-butanoyl-3-methylpiperidin-4-yl]sulfamoyl]naphthalen-1-yl]-2-methylbenzamide
CID 59656421
2-methyl-N-[4-[[1-(pyrrolidine-1-carboximidoyl)piperidin-4-yl]sulfamoyl]naphthalen-1-yl]benzamide
CID 59656510
N-naphthalen-1-yl-1-propylsulfonylpiperidine-3-carboxamide
CID 55647051
2-methyl-N-(1-pentanoylpiperidin-4-yl)benzenesulfonamide
CID 110819574
ethyl (3S,4R)-1-butanoyl-4-[[4-[(2-methylbenzoyl)amino]naphthalen-1-yl]sulfonylamino]piperidine-3-carboxylate
CID 66997881
ethyl 4-[[4-[(2,5-dimethylbenzoyl)amino]naphthalen-1-yl]sulfonylamino]piperidine-1-carboxylate
CID 59656319
N-(1-methylpiperidin-3-yl)naphthalene-1-sulfonamide
CID 115684087
ethyl 4-[[4-[(2-cyanobenzoyl)amino]naphthalen-1-yl]sulfonylamino]piperidine-1-carboxylate
CID 59656408

Frequently Asked Questions

What is the IUPAC name of N-[4-[(1-butanoylpiperidin-4-yl)sulfamoyl]naphthalen-1-yl]-1-methylpiperidine-3-carboxamide?
The IUPAC name of N-[4-[(1-butanoylpiperidin-4-yl)sulfamoyl]naphthalen-1-yl]-1-methylpiperidine-3-carboxamide (CID 59656562) is N-[4-[(1-butanoylpiperidin-4-yl)sulfamoyl]naphthalen-1-yl]-1-methylpiperidine-3-carboxamide.
What is the SMILES notation for N-[4-[(1-butanoylpiperidin-4-yl)sulfamoyl]naphthalen-1-yl]-1-methylpiperidine-3-carboxamide?
The canonical SMILES for N-[4-[(1-butanoylpiperidin-4-yl)sulfamoyl]naphthalen-1-yl]-1-methylpiperidine-3-carboxamide is CCCC(=O)N1CCC(NS(=O)(=O)c2ccc(NC(=O)C3CCCN(C)C3)c3ccccc23)CC1.
What is the InChIKey of N-[4-[(1-butanoylpiperidin-4-yl)sulfamoyl]naphthalen-1-yl]-1-methylpiperidine-3-carboxamide?
The InChIKey is YZTIZEUBYBHYSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N4O4S/c1-3-7-25(31)30-16-13-20(14-17-30)28-35(33,34)24-12-11-23(21-9-4-5-10-22(21)24)27-26(32)19-8-6-15-29(2)18-19/h4-5,9-12,19-20,28H,3,6-8,13-18H2,1-2H3,(H,27,32).
What are the key properties of N-[4-[(1-butanoylpiperidin-4-yl)sulfamoyl]naphthalen-1-yl]-1-methylpiperidine-3-carboxamide?
N-[4-[(1-butanoylpiperidin-4-yl)sulfamoyl]naphthalen-1-yl]-1-methylpiperidine-3-carboxamide has a molecular weight of 500.67 g/mol, XLogP of 3.19, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(1-butanoylpiperidin-4-yl)sulfamoyl]naphthalen-1-yl]-1-methylpiperidine-3-carboxamide is sourced from PubChem (CID 59656562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).