N,N,3,5-tetramethyl-4-[[4-[(2-methylbenzoyl)amino]naphthalen-1-yl]sulfonylamino]piperidine-1-carboxamide

C28H34N4O4S — CID 66998196

IUPACN,N,3,5-tetramethyl-4-[[4-[(2-methylbenzoyl)amino]naphthalen-1-yl]sulfonylamino]piperidine-1-carboxamide
SMILESCc1ccccc1C(=O)Nc1ccc(S(=O)(=O)NC2C(C)CN(C(=O)N(C)C)CC2C)c2ccccc12
InChIInChI=1S/C28H34N4O4S/c1-18-10-6-7-11-21(18)27(33)29-24-14-15-25(23-13-9-8-12-22(23)24)37(35,36)30-26-19(2)16-32(17-20(26)3)28(34)31(4)5/h6-15,19-20,26,30H,16-17H2,1-5H3,(H,29,33)
InChIKeyBQLBHZVAFLNRKG-UHFFFAOYSA-N
MW522.67 g/mol
LogP4.32
Rot. Bonds5

About N,N,3,5-tetramethyl-4-[[4-[(2-methylbenzoyl)amino]naphthalen-1-yl]sulfonylamino]piperidine-1-carboxamide

N,N,3,5-tetramethyl-4-[[4-[(2-methylbenzoyl)amino]naphthalen-1-yl]sulfonylamino]piperidine-1-carboxamide (PubChem CID 66998196) has the molecular formula C28H34N4O4S and a molecular weight of 522.67 g/mol. Its IUPAC name is N,N,3,5-tetramethyl-4-[[4-[(2-methylbenzoyl)amino]naphthalen-1-yl]sulfonylamino]piperidine-1-carboxamide.

Molecular Properties

Compound NameN,N,3,5-tetramethyl-4-[[4-[(2-methylbenzoyl)amino]naphthalen-1-yl]sulfonylamino]piperidine-1-carboxamide
PubChem CID66998196
Molecular FormulaC28H34N4O4S
Molecular Weight522.67 g/mol
Exact Mass522.23
IUPAC NameN,N,3,5-tetramethyl-4-[[4-[(2-methylbenzoyl)amino]naphthalen-1-yl]sulfonylamino]piperidine-1-carboxamide
SMILESCc1ccccc1C(=O)Nc1ccc(S(=O)(=O)NC2C(C)CN(C(=O)N(C)C)CC2C)c2ccccc12
InChIInChI=1S/C28H34N4O4S/c1-18-10-6-7-11-21(18)27(33)29-24-14-15-25(23-13-9-8-12-22(23)24)37(35,36)30-26-19(2)16-32(17-20(26)3)28(34)31(4)5/h6-15,19-20,26,30H,16-17H2,1-5H3,(H,29,33)
InChIKeyBQLBHZVAFLNRKG-UHFFFAOYSA-N
XLogP4.32
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500522.67
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N,N,3,5-tetramethyl-4-[[4-[(2-methylbenzoyl)amino]naphthalen-1-yl]sulfonylamino]piperidine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S,4R)-3-ethyl-N,N-dimethyl-4-[[4-[(2-methylbenzoyl)amino]naphthalen-1-yl]sulfonylamino]piperidine-1-carboxamide
CID 66998687
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
N-[4-[[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]sulfamoyl]naphthalen-1-yl]-2-methylbenzamide
CID 10255197
N-[5-[[1-[(2S)-2-aminopropanoyl]-3-methylpiperidin-4-yl]sulfamoyl]naphthalen-1-yl]-2-methylbenzamide
CID 66997710
2-methyl-N-[4-[[3-methyl-1-[(2R)-pyrrolidine-2-carbonyl]piperidin-4-yl]sulfamoyl]naphthalen-1-yl]benzamide
CID 66998053
N-[4-[[1-(2-aminoacetyl)piperidin-4-yl]sulfamoyl]naphthalen-1-yl]-2-methylbenzamide
CID 10254576
tert-butyl 4-[2-[(3R,4S)-3-methyl-4-[[4-[(2-methylbenzoyl)amino]naphthalen-1-yl]sulfonylamino]piperidin-1-yl]-2-oxoethyl]piperazine-1-carboxylate
CID 71033142
N-[4-[[1-(2-amino-2-cyclohexylacetyl)piperidin-4-yl]sulfamoyl]naphthalen-1-yl]-2-methylbenzamide
CID 66998594
2-methyl-N-[4-[[1-(pyrrolidine-1-carboximidoyl)piperidin-4-yl]sulfamoyl]naphthalen-1-yl]benzamide
CID 59656510
N-[4-[[(3S,4S)-1-[(2S)-2-aminopropanoyl]-3-ethylpiperidin-4-yl]sulfamoyl]naphthalen-1-yl]-2-methylbenzamide;methane
CID 159257922
2-methyl-N-[4-[1-(4-methylpiperidin-1-yl)propan-2-ylsulfamoyl]naphthalen-1-yl]benzamide
CID 167339772

Frequently Asked Questions

What is the IUPAC name of N,N,3,5-tetramethyl-4-[[4-[(2-methylbenzoyl)amino]naphthalen-1-yl]sulfonylamino]piperidine-1-carboxamide?
The IUPAC name of N,N,3,5-tetramethyl-4-[[4-[(2-methylbenzoyl)amino]naphthalen-1-yl]sulfonylamino]piperidine-1-carboxamide (CID 66998196) is N,N,3,5-tetramethyl-4-[[4-[(2-methylbenzoyl)amino]naphthalen-1-yl]sulfonylamino]piperidine-1-carboxamide.
What is the SMILES notation for N,N,3,5-tetramethyl-4-[[4-[(2-methylbenzoyl)amino]naphthalen-1-yl]sulfonylamino]piperidine-1-carboxamide?
The canonical SMILES for N,N,3,5-tetramethyl-4-[[4-[(2-methylbenzoyl)amino]naphthalen-1-yl]sulfonylamino]piperidine-1-carboxamide is Cc1ccccc1C(=O)Nc1ccc(S(=O)(=O)NC2C(C)CN(C(=O)N(C)C)CC2C)c2ccccc12.
What is the InChIKey of N,N,3,5-tetramethyl-4-[[4-[(2-methylbenzoyl)amino]naphthalen-1-yl]sulfonylamino]piperidine-1-carboxamide?
The InChIKey is BQLBHZVAFLNRKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N4O4S/c1-18-10-6-7-11-21(18)27(33)29-24-14-15-25(23-13-9-8-12-22(23)24)37(35,36)30-26-19(2)16-32(17-20(26)3)28(34)31(4)5/h6-15,19-20,26,30H,16-17H2,1-5H3,(H,29,33).
What are the key properties of N,N,3,5-tetramethyl-4-[[4-[(2-methylbenzoyl)amino]naphthalen-1-yl]sulfonylamino]piperidine-1-carboxamide?
N,N,3,5-tetramethyl-4-[[4-[(2-methylbenzoyl)amino]naphthalen-1-yl]sulfonylamino]piperidine-1-carboxamide has a molecular weight of 522.67 g/mol, XLogP of 4.32, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,3,5-tetramethyl-4-[[4-[(2-methylbenzoyl)amino]naphthalen-1-yl]sulfonylamino]piperidine-1-carboxamide is sourced from PubChem (CID 66998196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).