2-methyl-N-[4-[1-(4-methylpiperidin-1-yl)propan-2-ylsulfamoyl]naphthalen-1-yl]benzamide

C27H33N3O3S — CID 167339772

IUPAC2-methyl-N-[4-[1-(4-methylpiperidin-1-yl)propan-2-ylsulfamoyl]naphthalen-1-yl]benzamide
SMILESCc1ccccc1C(=O)Nc1ccc(S(=O)(=O)NC(C)CN2CCC(C)CC2)c2ccccc12
InChIInChI=1S/C27H33N3O3S/c1-19-14-16-30(17-15-19)18-21(3)29-34(32,33)26-13-12-25(23-10-6-7-11-24(23)26)28-27(31)22-9-5-4-8-20(22)2/h4-13,19,21,29H,14-18H2,1-3H3,(H,28,31)
InChIKeyRTPYMPMJRNGKDJ-UHFFFAOYSA-N
MW479.65 g/mol
LogP4.80
Rot. Bonds7

About 2-methyl-N-[4-[1-(4-methylpiperidin-1-yl)propan-2-ylsulfamoyl]naphthalen-1-yl]benzamide

2-methyl-N-[4-[1-(4-methylpiperidin-1-yl)propan-2-ylsulfamoyl]naphthalen-1-yl]benzamide (PubChem CID 167339772) has the molecular formula C27H33N3O3S and a molecular weight of 479.65 g/mol. Its IUPAC name is 2-methyl-N-[4-[1-(4-methylpiperidin-1-yl)propan-2-ylsulfamoyl]naphthalen-1-yl]benzamide.

Molecular Properties

Compound Name2-methyl-N-[4-[1-(4-methylpiperidin-1-yl)propan-2-ylsulfamoyl]naphthalen-1-yl]benzamide
PubChem CID167339772
Molecular FormulaC27H33N3O3S
Molecular Weight479.65 g/mol
Exact Mass479.22
IUPAC Name2-methyl-N-[4-[1-(4-methylpiperidin-1-yl)propan-2-ylsulfamoyl]naphthalen-1-yl]benzamide
SMILESCc1ccccc1C(=O)Nc1ccc(S(=O)(=O)NC(C)CN2CCC(C)CC2)c2ccccc12
InChIInChI=1S/C27H33N3O3S/c1-19-14-16-30(17-15-19)18-21(3)29-34(32,33)26-13-12-25(23-10-6-7-11-24(23)26)28-27(31)22-9-5-4-8-20(22)2/h4-13,19,21,29H,14-18H2,1-3H3,(H,28,31)
InChIKeyRTPYMPMJRNGKDJ-UHFFFAOYSA-N
XLogP4.80
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.65
LogP ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]sulfamoyl]naphthalen-1-yl]-2-methylbenzamide
CID 10255197
N-[4-[[1-(2-aminoacetyl)piperidin-4-yl]sulfamoyl]naphthalen-1-yl]-2-methylbenzamide
CID 10254576
N-[4-[(1-benzyl-3,3-dimethylpiperidin-4-yl)sulfamoyl]naphthalen-1-yl]-2-methylbenzamide
CID 59656462
tert-butyl 3-[1-[[4-[(2-methylbenzoyl)amino]naphthalen-1-yl]sulfonylamino]ethyl]piperidine-1-carboxylate
CID 167339839
N-[4-[[(3S,4R)-1-butanoyl-3-methylpiperidin-4-yl]sulfamoyl]naphthalen-1-yl]-2-methylbenzamide
CID 59656421
ethyl (3R,4R)-3-methyl-4-[[4-[(2-methylbenzoyl)amino]naphthalen-1-yl]sulfonylamino]piperidine-1-carboxylate
CID 59656310
methyl (3S,4S)-1-benzyl-4-[[4-[(2-methylbenzoyl)amino]naphthalen-1-yl]sulfonylamino]piperidine-3-carboxylate
CID 59718047
tert-butyl N-[2-[3-[1-[[4-[(2-methylbenzoyl)amino]naphthalen-1-yl]sulfonylamino]ethyl]piperidin-1-yl]-2-oxoethyl]carbamate
CID 167339978
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
N-[4-[[(3S,4S)-1-[(2S)-2-aminopropanoyl]-3-ethylpiperidin-4-yl]sulfamoyl]naphthalen-1-yl]-2-methylbenzamide;methane
CID 159257922
(3S,4R)-3-ethyl-N,N-dimethyl-4-[[4-[(2-methylbenzoyl)amino]naphthalen-1-yl]sulfonylamino]piperidine-1-carboxamide
CID 66998687

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[4-[1-(4-methylpiperidin-1-yl)propan-2-ylsulfamoyl]naphthalen-1-yl]benzamide?
The IUPAC name of 2-methyl-N-[4-[1-(4-methylpiperidin-1-yl)propan-2-ylsulfamoyl]naphthalen-1-yl]benzamide (CID 167339772) is 2-methyl-N-[4-[1-(4-methylpiperidin-1-yl)propan-2-ylsulfamoyl]naphthalen-1-yl]benzamide.
What is the SMILES notation for 2-methyl-N-[4-[1-(4-methylpiperidin-1-yl)propan-2-ylsulfamoyl]naphthalen-1-yl]benzamide?
The canonical SMILES for 2-methyl-N-[4-[1-(4-methylpiperidin-1-yl)propan-2-ylsulfamoyl]naphthalen-1-yl]benzamide is Cc1ccccc1C(=O)Nc1ccc(S(=O)(=O)NC(C)CN2CCC(C)CC2)c2ccccc12.
What is the InChIKey of 2-methyl-N-[4-[1-(4-methylpiperidin-1-yl)propan-2-ylsulfamoyl]naphthalen-1-yl]benzamide?
The InChIKey is RTPYMPMJRNGKDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N3O3S/c1-19-14-16-30(17-15-19)18-21(3)29-34(32,33)26-13-12-25(23-10-6-7-11-24(23)26)28-27(31)22-9-5-4-8-20(22)2/h4-13,19,21,29H,14-18H2,1-3H3,(H,28,31).
What are the key properties of 2-methyl-N-[4-[1-(4-methylpiperidin-1-yl)propan-2-ylsulfamoyl]naphthalen-1-yl]benzamide?
2-methyl-N-[4-[1-(4-methylpiperidin-1-yl)propan-2-ylsulfamoyl]naphthalen-1-yl]benzamide has a molecular weight of 479.65 g/mol, XLogP of 4.80, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[4-[1-(4-methylpiperidin-1-yl)propan-2-ylsulfamoyl]naphthalen-1-yl]benzamide is sourced from PubChem (CID 167339772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).