2-methyl-N-[5-[[1-(morpholine-4-carbonyl)piperidin-4-yl]sulfamoyl]naphthalen-1-yl]benzamide

C28H32N4O5S — CID 59718013

IUPAC2-methyl-N-[5-[[1-(morpholine-4-carbonyl)piperidin-4-yl]sulfamoyl]naphthalen-1-yl]benzamide
SMILESCc1ccccc1C(=O)Nc1cccc2c(S(=O)(=O)NC3CCN(C(=O)N4CCOCC4)CC3)cccc12
InChIInChI=1S/C28H32N4O5S/c1-20-6-2-3-7-22(20)27(33)29-25-10-4-9-24-23(25)8-5-11-26(24)38(35,36)30-21-12-14-31(15-13-21)28(34)32-16-18-37-19-17-32/h2-11,21,30H,12-19H2,1H3,(H,29,33)
InChIKeyFHYVPVGUMIAYRV-UHFFFAOYSA-N
MW536.65 g/mol
LogP3.60
Rot. Bonds5

About 2-methyl-N-[5-[[1-(morpholine-4-carbonyl)piperidin-4-yl]sulfamoyl]naphthalen-1-yl]benzamide

2-methyl-N-[5-[[1-(morpholine-4-carbonyl)piperidin-4-yl]sulfamoyl]naphthalen-1-yl]benzamide (PubChem CID 59718013) has the molecular formula C28H32N4O5S and a molecular weight of 536.65 g/mol. Its IUPAC name is 2-methyl-N-[5-[[1-(morpholine-4-carbonyl)piperidin-4-yl]sulfamoyl]naphthalen-1-yl]benzamide.

Molecular Properties

Compound Name2-methyl-N-[5-[[1-(morpholine-4-carbonyl)piperidin-4-yl]sulfamoyl]naphthalen-1-yl]benzamide
PubChem CID59718013
Molecular FormulaC28H32N4O5S
Molecular Weight536.65 g/mol
Exact Mass536.21
IUPAC Name2-methyl-N-[5-[[1-(morpholine-4-carbonyl)piperidin-4-yl]sulfamoyl]naphthalen-1-yl]benzamide
SMILESCc1ccccc1C(=O)Nc1cccc2c(S(=O)(=O)NC3CCN(C(=O)N4CCOCC4)CC3)cccc12
InChIInChI=1S/C28H32N4O5S/c1-20-6-2-3-7-22(20)27(33)29-25-10-4-9-24-23(25)8-5-11-26(24)38(35,36)30-21-12-14-31(15-13-21)28(34)32-16-18-37-19-17-32/h2-11,21,30H,12-19H2,1H3,(H,29,33)
InChIKeyFHYVPVGUMIAYRV-UHFFFAOYSA-N
XLogP3.60
TPSA108.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500536.65
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[[1-(2-aminoacetyl)piperidin-4-yl]sulfamoyl]naphthalen-1-yl]-2-methylbenzamide
CID 10254576
N-[4-[[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]sulfamoyl]naphthalen-1-yl]-2-methylbenzamide
CID 10255197
2-methyl-N-[4-[[1-(pyrrolidine-1-carboximidoyl)piperidin-4-yl]sulfamoyl]naphthalen-1-yl]benzamide
CID 59656510
N-[4-[[1-(2-amino-2-cyclohexylacetyl)piperidin-4-yl]sulfamoyl]naphthalen-1-yl]-2-methylbenzamide
CID 66998594
5-[(1-butanoylpiperidin-4-yl)sulfamoyl]-N-(2,3-dimethylphenyl)naphthalene-1-carboxamide
CID 59717992
N-[5-[[1-[(2S)-2-aminopropanoyl]-3-methylpiperidin-4-yl]sulfamoyl]naphthalen-1-yl]-2-methylbenzamide
CID 66997710
2-methyl-N-[4-[[1-[(2S,4R)-4-phenylpyrrolidine-2-carbonyl]piperidin-4-yl]sulfamoyl]naphthalen-1-yl]benzamide
CID 66998301
ethyl 4-[[4-[(2,5-dimethylbenzoyl)amino]naphthalen-1-yl]sulfonylamino]piperidine-1-carboxylate
CID 59656319
N-[5-[[(3S,4S)-3-ethyl-1-[(2S)-pyrrolidine-2-carbonyl]piperidin-4-yl]sulfamoyl]naphthalen-1-yl]-2-methylbenzamide;N-[5-[[(3R,4S)-3-ethyl-1-[(2S)-pyrrolidine-2-carbonyl]piperidin-4-yl]sulfamoyl]naphthalen-1-yl]-2-methylbenzamide;2-methyl-N-[5-[[1-[(2S)-1-methylpyrrolidine-2-carbonyl]piperidin-4-yl]sulfamoyl]naphthalen-1-yl]benzamide;2-methyl-N-[5-[[1-[(2R)-1-methylpyrrolidine-2-carbonyl]piperidin-4-yl]sulfamoyl]naphthalen-1-yl]benzamide
CID 159848567
ethyl (3R,4R)-3-methyl-4-[[4-[(2-methylbenzoyl)amino]naphthalen-1-yl]sulfonylamino]piperidine-1-carboxylate
CID 59656310
ethyl (3R,4R)-3-(hydroxymethyl)-4-[[4-[(2-methylbenzoyl)amino]naphthalen-1-yl]sulfonylamino]piperidine-1-carboxylate
CID 86594775
diethyl (3R,4R)-4-[[4-[(2-methylbenzoyl)amino]naphthalen-1-yl]sulfonylamino]piperidine-1,3-dicarboxylate
CID 86594776

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[5-[[1-(morpholine-4-carbonyl)piperidin-4-yl]sulfamoyl]naphthalen-1-yl]benzamide?
The IUPAC name of 2-methyl-N-[5-[[1-(morpholine-4-carbonyl)piperidin-4-yl]sulfamoyl]naphthalen-1-yl]benzamide (CID 59718013) is 2-methyl-N-[5-[[1-(morpholine-4-carbonyl)piperidin-4-yl]sulfamoyl]naphthalen-1-yl]benzamide.
What is the SMILES notation for 2-methyl-N-[5-[[1-(morpholine-4-carbonyl)piperidin-4-yl]sulfamoyl]naphthalen-1-yl]benzamide?
The canonical SMILES for 2-methyl-N-[5-[[1-(morpholine-4-carbonyl)piperidin-4-yl]sulfamoyl]naphthalen-1-yl]benzamide is Cc1ccccc1C(=O)Nc1cccc2c(S(=O)(=O)NC3CCN(C(=O)N4CCOCC4)CC3)cccc12.
What is the InChIKey of 2-methyl-N-[5-[[1-(morpholine-4-carbonyl)piperidin-4-yl]sulfamoyl]naphthalen-1-yl]benzamide?
The InChIKey is FHYVPVGUMIAYRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N4O5S/c1-20-6-2-3-7-22(20)27(33)29-25-10-4-9-24-23(25)8-5-11-26(24)38(35,36)30-21-12-14-31(15-13-21)28(34)32-16-18-37-19-17-32/h2-11,21,30H,12-19H2,1H3,(H,29,33).
What are the key properties of 2-methyl-N-[5-[[1-(morpholine-4-carbonyl)piperidin-4-yl]sulfamoyl]naphthalen-1-yl]benzamide?
2-methyl-N-[5-[[1-(morpholine-4-carbonyl)piperidin-4-yl]sulfamoyl]naphthalen-1-yl]benzamide has a molecular weight of 536.65 g/mol, XLogP of 3.60, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[5-[[1-(morpholine-4-carbonyl)piperidin-4-yl]sulfamoyl]naphthalen-1-yl]benzamide is sourced from PubChem (CID 59718013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).