N-[4-[[1-(2-amino-2-cyclohexylacetyl)piperidin-4-yl]sulfamoyl]naphthalen-1-yl]-2-methylbenzamide

C31H38N4O4S — CID 66998594

IUPACN-[4-[[1-(2-amino-2-cyclohexylacetyl)piperidin-4-yl]sulfamoyl]naphthalen-1-yl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)Nc1ccc(S(=O)(=O)NC2CCN(C(=O)C(N)C3CCCCC3)CC2)c2ccccc12
InChIInChI=1S/C31H38N4O4S/c1-21-9-5-6-12-24(21)30(36)33-27-15-16-28(26-14-8-7-13-25(26)27)40(38,39)34-23-17-19-35(20-18-23)31(37)29(32)22-10-3-2-4-11-22/h5-9,12-16,22-23,29,34H,2-4,10-11,17-20,32H2,1H3,(H,33,36)
InChIKeyICRJYADUDYEATG-UHFFFAOYSA-N
MW562.74 g/mol
LogP4.58
Rot. Bonds7

About N-[4-[[1-(2-amino-2-cyclohexylacetyl)piperidin-4-yl]sulfamoyl]naphthalen-1-yl]-2-methylbenzamide

N-[4-[[1-(2-amino-2-cyclohexylacetyl)piperidin-4-yl]sulfamoyl]naphthalen-1-yl]-2-methylbenzamide (PubChem CID 66998594) has the molecular formula C31H38N4O4S and a molecular weight of 562.74 g/mol. Its IUPAC name is N-[4-[[1-(2-amino-2-cyclohexylacetyl)piperidin-4-yl]sulfamoyl]naphthalen-1-yl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[4-[[1-(2-amino-2-cyclohexylacetyl)piperidin-4-yl]sulfamoyl]naphthalen-1-yl]-2-methylbenzamide
PubChem CID66998594
Molecular FormulaC31H38N4O4S
Molecular Weight562.74 g/mol
Exact Mass562.26
IUPAC NameN-[4-[[1-(2-amino-2-cyclohexylacetyl)piperidin-4-yl]sulfamoyl]naphthalen-1-yl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)Nc1ccc(S(=O)(=O)NC2CCN(C(=O)C(N)C3CCCCC3)CC2)c2ccccc12
InChIInChI=1S/C31H38N4O4S/c1-21-9-5-6-12-24(21)30(36)33-27-15-16-28(26-14-8-7-13-25(26)27)40(38,39)34-23-17-19-35(20-18-23)31(37)29(32)22-10-3-2-4-11-22/h5-9,12-16,22-23,29,34H,2-4,10-11,17-20,32H2,1H3,(H,33,36)
InChIKeyICRJYADUDYEATG-UHFFFAOYSA-N
XLogP4.58
TPSA121.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500562.74
LogP ≤ 54.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[4-[[1-(2-amino-2-cyclohexylacetyl)piperidin-4-yl]sulfamoyl]naphthalen-1-yl]-2-methylbenzamide with MolForge

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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
2-methyl-N-[4-[[1-(pyrrolidine-1-carboximidoyl)piperidin-4-yl]sulfamoyl]naphthalen-1-yl]benzamide
CID 59656510
2-methyl-N-[5-[[1-(morpholine-4-carbonyl)piperidin-4-yl]sulfamoyl]naphthalen-1-yl]benzamide
CID 59718013
N-[4-[[(3S,4S)-1-[(2S)-2-aminopropanoyl]-3-ethylpiperidin-4-yl]sulfamoyl]naphthalen-1-yl]-2-methylbenzamide;methane
CID 159257922
ethyl 4-[[4-[(2,5-dimethylbenzoyl)amino]naphthalen-1-yl]sulfonylamino]piperidine-1-carboxylate
CID 59656319
2-methyl-N-[4-[[1-[(2S,4R)-4-phenylpyrrolidine-2-carbonyl]piperidin-4-yl]sulfamoyl]naphthalen-1-yl]benzamide
CID 66998301
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
N-[5-[[1-[(2S)-2-aminopropanoyl]-3-methylpiperidin-4-yl]sulfamoyl]naphthalen-1-yl]-2-methylbenzamide
CID 66997710
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-(2-amino-2-cyclohexylacetyl)piperidin-4-yl]sulfamoyl]naphthalen-1-yl]-2-methylbenzamide?
The IUPAC name of N-[4-[[1-(2-amino-2-cyclohexylacetyl)piperidin-4-yl]sulfamoyl]naphthalen-1-yl]-2-methylbenzamide (CID 66998594) is N-[4-[[1-(2-amino-2-cyclohexylacetyl)piperidin-4-yl]sulfamoyl]naphthalen-1-yl]-2-methylbenzamide.
What is the SMILES notation for N-[4-[[1-(2-amino-2-cyclohexylacetyl)piperidin-4-yl]sulfamoyl]naphthalen-1-yl]-2-methylbenzamide?
The canonical SMILES for N-[4-[[1-(2-amino-2-cyclohexylacetyl)piperidin-4-yl]sulfamoyl]naphthalen-1-yl]-2-methylbenzamide is Cc1ccccc1C(=O)Nc1ccc(S(=O)(=O)NC2CCN(C(=O)C(N)C3CCCCC3)CC2)c2ccccc12.
What is the InChIKey of N-[4-[[1-(2-amino-2-cyclohexylacetyl)piperidin-4-yl]sulfamoyl]naphthalen-1-yl]-2-methylbenzamide?
The InChIKey is ICRJYADUDYEATG-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H38N4O4S/c1-21-9-5-6-12-24(21)30(36)33-27-15-16-28(26-14-8-7-13-25(26)27)40(38,39)34-23-17-19-35(20-18-23)31(37)29(32)22-10-3-2-4-11-22/h5-9,12-16,22-23,29,34H,2-4,10-11,17-20,32H2,1H3,(H,33,36).
What are the key properties of N-[4-[[1-(2-amino-2-cyclohexylacetyl)piperidin-4-yl]sulfamoyl]naphthalen-1-yl]-2-methylbenzamide?
N-[4-[[1-(2-amino-2-cyclohexylacetyl)piperidin-4-yl]sulfamoyl]naphthalen-1-yl]-2-methylbenzamide has a molecular weight of 562.74 g/mol, XLogP of 4.58, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[1-(2-amino-2-cyclohexylacetyl)piperidin-4-yl]sulfamoyl]naphthalen-1-yl]-2-methylbenzamide is sourced from PubChem (CID 66998594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).