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

C140H168N20O20S5 — CID 161432912

IUPACN-[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
SMILESCN[C@@H](C)C(=O)N1CC[C@@H](NS(=O)(=O)c2ccc(NC(=O)c3ccccc3C)c3ccccc23)[C@H](C)C1.Cc1ccccc1C(=O)Nc1ccc(S(=O)(=O)NC2CCN(C(=O)[C@@H]3CCCN3)CC2)c2ccccc12.Cc1ccccc1C(=O)Nc1ccc(S(=O)(=O)N[C@@H]2CCN(C(=O)C(C)(C)N)C[C@@H]2C)c2ccccc12.Cc1ccccc1C(=O)Nc1ccc(S(=O)(=O)N[C@@H]2CCN(C(=O)C(C)(C)N)C[C@H]2C)c2ccccc12.Cc1ccccc1C(=O)Nc1ccc(S(=O)(=O)N[C@H]2CCN(C(=O)C(C)(C)N)C[C@@H]2C)c2ccccc12
InChIInChI=1S/C28H32N4O4S.4C28H34N4O4S/c1-19-7-2-3-8-21(19)27(33)30-24-12-13-26(23-10-5-4-9-22(23)24)37(35,36)31-20-14-17-32(18-15-20)28(34)25-11-6-16-29-25;3*1-18-9-5-6-10-20(18)26(33)30-24-13-14-25(22-12-8-7-11-21(22)24)37(35,36)31-23-15-16-32(17-19(23)2)27(34)28(3,4)29;1-18-9-5-6-10-21(18)27(33)30-25-13-14-26(23-12-8-7-11-22(23)25)37(35,36)31-24-15-16-32(17-19(24)2)28(34)20(3)29-4/h2-5,7-10,12-13,20,25,29,31H,6,11,14-18H2,1H3,(H,30,33);3*5-14,19,23,31H,15-17,29H2,1-4H3,(H,30,33);5-14,19-20,24,29,31H,15-17H2,1-4H3,(H,30,33)/t25-;19-,23+;2*19-,23-;19-,20+,24-/m00101/s1
InChIKeyVYGJWHQRJJTEGC-WFWDAQADSA-N
MW2611.34 g/mol
LogP17.90
Rot. Bonds31

About 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

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 (PubChem CID 161432912) has the molecular formula C140H168N20O20S5 and a molecular weight of 2611.34 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[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
PubChem CID161432912
Molecular FormulaC140H168N20O20S5
Molecular Weight2611.34 g/mol
Exact Mass2609.13
IUPAC NameN-[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
SMILESCN[C@@H](C)C(=O)N1CC[C@@H](NS(=O)(=O)c2ccc(NC(=O)c3ccccc3C)c3ccccc23)[C@H](C)C1.Cc1ccccc1C(=O)Nc1ccc(S(=O)(=O)NC2CCN(C(=O)[C@@H]3CCCN3)CC2)c2ccccc12.Cc1ccccc1C(=O)Nc1ccc(S(=O)(=O)N[C@@H]2CCN(C(=O)C(C)(C)N)C[C@@H]2C)c2ccccc12.Cc1ccccc1C(=O)Nc1ccc(S(=O)(=O)N[C@@H]2CCN(C(=O)C(C)(C)N)C[C@H]2C)c2ccccc12.Cc1ccccc1C(=O)Nc1ccc(S(=O)(=O)N[C@H]2CCN(C(=O)C(C)(C)N)C[C@@H]2C)c2ccccc12
InChIInChI=1S/C28H32N4O4S.4C28H34N4O4S/c1-19-7-2-3-8-21(19)27(33)30-24-12-13-26(23-10-5-4-9-22(23)24)37(35,36)31-20-14-17-32(18-15-20)28(34)25-11-6-16-29-25;3*1-18-9-5-6-10-20(18)26(33)30-24-13-14-25(22-12-8-7-11-21(22)24)37(35,36)31-23-15-16-32(17-19(23)2)27(34)28(3,4)29;1-18-9-5-6-10-21(18)27(33)30-25-13-14-26(23-12-8-7-11-22(23)25)37(35,36)31-24-15-16-32(17-19(24)2)28(34)20(3)29-4/h2-5,7-10,12-13,20,25,29,31H,6,11,14-18H2,1H3,(H,30,33);3*5-14,19,23,31H,15-17,29H2,1-4H3,(H,30,33);5-14,19-20,24,29,31H,15-17H2,1-4H3,(H,30,33)/t25-;19-,23+;2*19-,23-;19-,20+,24-/m00101/s1
InChIKeyVYGJWHQRJJTEGC-WFWDAQADSA-N
XLogP17.90
TPSA580.02 Ų
H-Bond Donors15
H-Bond Acceptors25
Rotatable Bonds31
Heavy Atoms185
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002611.34
LogP ≤ 517.90
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1025

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CN[C@@H](C)C(=O)N1CC[C@@H](NS(=O)(=O)c2ccc(NC(=O)c3ccccc3C)c3ccccc23)[C@H](C)C1.Cc1ccccc1C(=O)Nc1ccc(S(=O)(=O)NC2CCN(C(=O)[C@@H]3CCCN3)CC2)c2ccccc12.Cc1ccccc1C(=O)Nc1ccc(S(=O)(=O)N[C@@H]2CCN(C(=O)C(C)(C)N)C[C@@H]2C)c2ccccc12.Cc1ccccc1C(=O)Nc1ccc(S(=O)(=O)N[C@@H]2CCN(C(=O)C(C)(C)N)C[C@H]2C)c2ccccc12.Cc1ccccc1C(=O)Nc1ccc(S(=O)(=O)N[C@H]2CCN(C(=O)C(C)(C)N)C[C@@H]2C)c2ccccc12.
What is the InChIKey of 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?
The InChIKey is VYGJWHQRJJTEGC-WFWDAQADSA-N. The full InChI is InChI=1S/C28H32N4O4S.4C28H34N4O4S/c1-19-7-2-3-8-21(19)27(33)30-24-12-13-26(23-10-5-4-9-22(23)24)37(35,36)31-20-14-17-32(18-15-20)28(34)25-11-6-16-29-25;3*1-18-9-5-6-10-20(18)26(33)30-24-13-14-25(22-12-8-7-11-21(22)24)37(35,36)31-23-15-16-32(17-19(23)2)27(34)28(3,4)29;1-18-9-5-6-10-21(18)27(33)30-25-13-14-26(23-12-8-7-11-22(23)25)37(35,36)31-24-15-16-32(17-19(24)2)28(34)20(3)29-4/h2-5,7-10,12-13,20,25,29,31H,6,11,14-18H2,1H3,(H,30,33);3*5-14,19,23,31H,15-17,29H2,1-4H3,(H,30,33);5-14,19-20,24,29,31H,15-17H2,1-4H3,(H,30,33)/t25-;19-,23+;2*19-,23-;19-,20+,24-/m00101/s1.
What are the key properties of 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?
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 has a molecular weight of 2611.34 g/mol, XLogP of 17.90, 31 rotatable bonds, 15 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 161432912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).