5-[(1-butanoylpiperidin-4-yl)sulfamoyl]-N-(2,3-dimethylphenyl)naphthalene-1-carboxamide

C28H33N3O4S — CID 59717992

IUPAC5-[(1-butanoylpiperidin-4-yl)sulfamoyl]-N-(2,3-dimethylphenyl)naphthalene-1-carboxamide
SMILESCCCC(=O)N1CCC(NS(=O)(=O)c2cccc3c(C(=O)Nc4cccc(C)c4C)cccc23)CC1
InChIInChI=1S/C28H33N3O4S/c1-4-8-27(32)31-17-15-21(16-18-31)30-36(34,35)26-14-7-10-22-23(26)11-6-12-24(22)28(33)29-25-13-5-9-19(2)20(25)3/h5-7,9-14,21,30H,4,8,15-18H2,1-3H3,(H,29,33)
InChIKeyWWRRUFMCCCCJEW-UHFFFAOYSA-N
MW507.66 g/mol
LogP4.78
Rot. Bonds7

About 5-[(1-butanoylpiperidin-4-yl)sulfamoyl]-N-(2,3-dimethylphenyl)naphthalene-1-carboxamide

5-[(1-butanoylpiperidin-4-yl)sulfamoyl]-N-(2,3-dimethylphenyl)naphthalene-1-carboxamide (PubChem CID 59717992) has the molecular formula C28H33N3O4S and a molecular weight of 507.66 g/mol. Its IUPAC name is 5-[(1-butanoylpiperidin-4-yl)sulfamoyl]-N-(2,3-dimethylphenyl)naphthalene-1-carboxamide.

Molecular Properties

Compound Name5-[(1-butanoylpiperidin-4-yl)sulfamoyl]-N-(2,3-dimethylphenyl)naphthalene-1-carboxamide
PubChem CID59717992
Molecular FormulaC28H33N3O4S
Molecular Weight507.66 g/mol
Exact Mass507.22
IUPAC Name5-[(1-butanoylpiperidin-4-yl)sulfamoyl]-N-(2,3-dimethylphenyl)naphthalene-1-carboxamide
SMILESCCCC(=O)N1CCC(NS(=O)(=O)c2cccc3c(C(=O)Nc4cccc(C)c4C)cccc23)CC1
InChIInChI=1S/C28H33N3O4S/c1-4-8-27(32)31-17-15-21(16-18-31)30-36(34,35)26-14-7-10-22-23(26)11-6-12-24(22)28(33)29-25-13-5-9-19(2)20(25)3/h5-7,9-14,21,30H,4,8,15-18H2,1-3H3,(H,29,33)
InChIKeyWWRRUFMCCCCJEW-UHFFFAOYSA-N
XLogP4.78
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500507.66
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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
2-methyl-N-[5-[[1-(morpholine-4-carbonyl)piperidin-4-yl]sulfamoyl]naphthalen-1-yl]benzamide
CID 59718013
2-methyl-N-(1-pentanoylpiperidin-4-yl)benzenesulfonamide
CID 110819574
N-[4-[[(3S,4R)-1-butanoyl-3-methylpiperidin-4-yl]sulfamoyl]naphthalen-1-yl]-2-methylbenzamide
CID 59656421
N-[4-[[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]sulfamoyl]naphthalen-1-yl]-2-methylbenzamide
CID 10255197
ethyl (3S,4R)-1-butanoyl-4-[[4-[(2-methylbenzoyl)amino]naphthalen-1-yl]sulfonylamino]piperidine-3-carboxylate
CID 66997881
2-methyl-N-[4-[[1-(pyrrolidine-1-carboximidoyl)piperidin-4-yl]sulfamoyl]naphthalen-1-yl]benzamide
CID 59656510
ethyl 4-[[4-[(2,5-dimethylbenzoyl)amino]naphthalen-1-yl]sulfonylamino]piperidine-1-carboxylate
CID 59656319
N-[4-[(1-butanoylpiperidin-4-yl)sulfamoyl]naphthalen-1-yl]-1-methylpiperidine-3-carboxamide
CID 59656562
N-[4-[[1-(2-amino-2-cyclohexylacetyl)piperidin-4-yl]sulfamoyl]naphthalen-1-yl]-2-methylbenzamide
CID 66998594
ethyl 4-[[4-[(2-cyanobenzoyl)amino]naphthalen-1-yl]sulfonylamino]piperidine-1-carboxylate
CID 59656408

Frequently Asked Questions

What is the IUPAC name of 5-[(1-butanoylpiperidin-4-yl)sulfamoyl]-N-(2,3-dimethylphenyl)naphthalene-1-carboxamide?
The IUPAC name of 5-[(1-butanoylpiperidin-4-yl)sulfamoyl]-N-(2,3-dimethylphenyl)naphthalene-1-carboxamide (CID 59717992) is 5-[(1-butanoylpiperidin-4-yl)sulfamoyl]-N-(2,3-dimethylphenyl)naphthalene-1-carboxamide.
What is the SMILES notation for 5-[(1-butanoylpiperidin-4-yl)sulfamoyl]-N-(2,3-dimethylphenyl)naphthalene-1-carboxamide?
The canonical SMILES for 5-[(1-butanoylpiperidin-4-yl)sulfamoyl]-N-(2,3-dimethylphenyl)naphthalene-1-carboxamide is CCCC(=O)N1CCC(NS(=O)(=O)c2cccc3c(C(=O)Nc4cccc(C)c4C)cccc23)CC1.
What is the InChIKey of 5-[(1-butanoylpiperidin-4-yl)sulfamoyl]-N-(2,3-dimethylphenyl)naphthalene-1-carboxamide?
The InChIKey is WWRRUFMCCCCJEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33N3O4S/c1-4-8-27(32)31-17-15-21(16-18-31)30-36(34,35)26-14-7-10-22-23(26)11-6-12-24(22)28(33)29-25-13-5-9-19(2)20(25)3/h5-7,9-14,21,30H,4,8,15-18H2,1-3H3,(H,29,33).
What are the key properties of 5-[(1-butanoylpiperidin-4-yl)sulfamoyl]-N-(2,3-dimethylphenyl)naphthalene-1-carboxamide?
5-[(1-butanoylpiperidin-4-yl)sulfamoyl]-N-(2,3-dimethylphenyl)naphthalene-1-carboxamide has a molecular weight of 507.66 g/mol, XLogP of 4.78, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-butanoylpiperidin-4-yl)sulfamoyl]-N-(2,3-dimethylphenyl)naphthalene-1-carboxamide is sourced from PubChem (CID 59717992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).