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

C118H140N16O16S4 — CID 159848567

IUPACN-[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
SMILESCC[C@@H]1CN(C(=O)[C@@H]2CCCN2)CC[C@@H]1NS(=O)(=O)c1cccc2c(NC(=O)c3ccccc3C)cccc12.CC[C@H]1CN(C(=O)[C@@H]2CCCN2)CC[C@@H]1NS(=O)(=O)c1cccc2c(NC(=O)c3ccccc3C)cccc12.Cc1ccccc1C(=O)Nc1cccc2c(S(=O)(=O)NC3CCN(C(=O)[C@@H]4CCCN4C)CC3)cccc12.Cc1ccccc1C(=O)Nc1cccc2c(S(=O)(=O)NC3CCN(C(=O)[C@H]4CCCN4C)CC3)cccc12
InChIInChI=1S/2C30H36N4O4S.2C29H34N4O4S/c2*1-3-21-19-34(30(36)27-14-8-17-31-27)18-16-25(21)33-39(37,38)28-15-7-11-23-24(28)12-6-13-26(23)32-29(35)22-10-5-4-9-20(22)2;2*1-20-8-3-4-9-22(20)28(34)30-25-12-5-11-24-23(25)10-6-14-27(24)38(36,37)31-21-15-18-33(19-16-21)29(35)26-13-7-17-32(26)2/h2*4-7,9-13,15,21,25,27,31,33H,3,8,14,16-19H2,1-2H3,(H,32,35);2*3-6,8-12,14,21,26,31H,7,13,15-19H2,1-2H3,(H,30,34)/t21-,25+,27+;21-,25-,27-;2*26-/m1010/s1
InChIKeyNPQATAAYDMPPCK-PCAWBXAYSA-N
MW2166.78 g/mol
LogP15.64
Rot. Bonds26

About 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

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 (PubChem CID 159848567) has the molecular formula C118H140N16O16S4 and a molecular weight of 2166.78 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[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
PubChem CID159848567
Molecular FormulaC118H140N16O16S4
Molecular Weight2166.78 g/mol
Exact Mass2164.95
IUPAC NameN-[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
SMILESCC[C@@H]1CN(C(=O)[C@@H]2CCCN2)CC[C@@H]1NS(=O)(=O)c1cccc2c(NC(=O)c3ccccc3C)cccc12.CC[C@H]1CN(C(=O)[C@@H]2CCCN2)CC[C@@H]1NS(=O)(=O)c1cccc2c(NC(=O)c3ccccc3C)cccc12.Cc1ccccc1C(=O)Nc1cccc2c(S(=O)(=O)NC3CCN(C(=O)[C@@H]4CCCN4C)CC3)cccc12.Cc1ccccc1C(=O)Nc1cccc2c(S(=O)(=O)NC3CCN(C(=O)[C@H]4CCCN4C)CC3)cccc12
InChIInChI=1S/2C30H36N4O4S.2C29H34N4O4S/c2*1-3-21-19-34(30(36)27-14-8-17-31-27)18-16-25(21)33-39(37,38)28-15-7-11-23-24(28)12-6-13-26(23)32-29(35)22-10-5-4-9-20(22)2;2*1-20-8-3-4-9-22(20)28(34)30-25-12-5-11-24-23(25)10-6-14-27(24)38(36,37)31-21-15-18-33(19-16-21)29(35)26-13-7-17-32(26)2/h2*4-7,9-13,15,21,25,27,31,33H,3,8,14,16-19H2,1-2H3,(H,32,35);2*3-6,8-12,14,21,26,31H,7,13,15-19H2,1-2H3,(H,30,34)/t21-,25+,27+;21-,25-,27-;2*26-/m1010/s1
InChIKeyNPQATAAYDMPPCK-PCAWBXAYSA-N
XLogP15.64
TPSA412.86 Ų
H-Bond Donors10
H-Bond Acceptors20
Rotatable Bonds26
Heavy Atoms154
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002166.78
LogP ≤ 515.64
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1020

Analyze 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 with MolForge

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Launch Full Analysis

Related Compounds

2-methyl-N-[4-[[3-methyl-1-[(2R)-pyrrolidine-2-carbonyl]piperidin-4-yl]sulfamoyl]naphthalen-1-yl]benzamide
CID 66998053
(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-(2-amino-2-methylpropanoyl)-3-methylpiperidin-4-yl]sulfamoyl]naphthalen-1-yl]-2-methylbenzamide;N-[4-[[(3R,4R)-1-(2-amino-2-methylpropanoyl)-3-methylpiperidin-4-yl]sulfamoyl]naphthalen-1-yl]-2-methylbenzamide;N-[4-[[(3S,4S)-1-(2-amino-2-methylpropanoyl)-3-methylpiperidin-4-yl]sulfamoyl]naphthalen-1-yl]-2-methylbenzamide;2-methyl-N-[4-[[(3R,4R)-3-methyl-1-[(2S)-2-(methylamino)propanoyl]piperidin-4-yl]sulfamoyl]naphthalen-1-yl]benzamide;2-methyl-N-[4-[[1-[(2S)-pyrrolidine-2-carbonyl]piperidin-4-yl]sulfamoyl]naphthalen-1-yl]benzamide
CID 161432912
N-[4-[[(3S,4S)-1-[(2S)-2-aminopropanoyl]-3-ethylpiperidin-4-yl]sulfamoyl]naphthalen-1-yl]-2-methylbenzamide;methane
CID 159257922
2-methyl-N-[5-[[1-(morpholine-4-carbonyl)piperidin-4-yl]sulfamoyl]naphthalen-1-yl]benzamide
CID 59718013
ethyl (3R,4R)-3-(hydroxymethyl)-4-[[4-[(2-methylbenzoyl)amino]naphthalen-1-yl]sulfonylamino]piperidine-1-carboxylate
CID 86594775
N-[4-[[1-(2-aminoacetyl)piperidin-4-yl]sulfamoyl]naphthalen-1-yl]-2-methylbenzamide
CID 10254576
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
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
N-[4-[[(3S,4R)-1-butanoyl-3-methylpiperidin-4-yl]sulfamoyl]naphthalen-1-yl]-2-methylbenzamide
CID 59656421

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC[C@@H]1CN(C(=O)[C@@H]2CCCN2)CC[C@@H]1NS(=O)(=O)c1cccc2c(NC(=O)c3ccccc3C)cccc12.CC[C@H]1CN(C(=O)[C@@H]2CCCN2)CC[C@@H]1NS(=O)(=O)c1cccc2c(NC(=O)c3ccccc3C)cccc12.Cc1ccccc1C(=O)Nc1cccc2c(S(=O)(=O)NC3CCN(C(=O)[C@@H]4CCCN4C)CC3)cccc12.Cc1ccccc1C(=O)Nc1cccc2c(S(=O)(=O)NC3CCN(C(=O)[C@H]4CCCN4C)CC3)cccc12.
What is the InChIKey of 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?
The InChIKey is NPQATAAYDMPPCK-PCAWBXAYSA-N. The full InChI is InChI=1S/2C30H36N4O4S.2C29H34N4O4S/c2*1-3-21-19-34(30(36)27-14-8-17-31-27)18-16-25(21)33-39(37,38)28-15-7-11-23-24(28)12-6-13-26(23)32-29(35)22-10-5-4-9-20(22)2;2*1-20-8-3-4-9-22(20)28(34)30-25-12-5-11-24-23(25)10-6-14-27(24)38(36,37)31-21-15-18-33(19-16-21)29(35)26-13-7-17-32(26)2/h2*4-7,9-13,15,21,25,27,31,33H,3,8,14,16-19H2,1-2H3,(H,32,35);2*3-6,8-12,14,21,26,31H,7,13,15-19H2,1-2H3,(H,30,34)/t21-,25+,27+;21-,25-,27-;2*26-/m1010/s1.
What are the key properties of 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?
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 has a molecular weight of 2166.78 g/mol, XLogP of 15.64, 26 rotatable bonds, 10 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159848567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).