5-[4-(tert-butylsulfamoyl)naphthalen-1-yl]-4-(3-carbamoylphenyl)-N-cyclohexyl-1,3-thiazole-2-carboxamide

C31H34N4O4S2 — CID 118186114

About 5-[4-(tert-butylsulfamoyl)naphthalen-1-yl]-4-(3-carbamoylphenyl)-N-cyclohexyl-1,3-thiazole-2-carboxamide

5-[4-(tert-butylsulfamoyl)naphthalen-1-yl]-4-(3-carbamoylphenyl)-N-cyclohexyl-1,3-thiazole-2-carboxamide (PubChem CID 118186114) has the molecular formula C31H34N4O4S2 and a molecular weight of 590.77 g/mol. Its IUPAC name is 5-[4-(tert-butylsulfamoyl)naphthalen-1-yl]-4-(3-carbamoylphenyl)-N-cyclohexyl-1,3-thiazole-2-carboxamide.

Molecular Properties

• Compound Name: 5-[4-(tert-butylsulfamoyl)naphthalen-1-yl]-4-(3-carbamoylphenyl)-N-cyclohexyl-1,3-thiazole-2-carboxamide
• PubChem CID: 118186114
• Molecular Formula: C31H34N4O4S2
• Molecular Weight: 590.77 g/mol
• Exact Mass: 590.20
• IUPAC Name: 5-[4-(tert-butylsulfamoyl)naphthalen-1-yl]-4-(3-carbamoylphenyl)-N-cyclohexyl-1,3-thiazole-2-carboxamide
• SMILES: CC(C)(C)NS(=O)(=O)c1ccc(-c2sc(C(=O)NC3CCCCC3)nc2-c2cccc(C(N)=O)c2)c2ccccc12
• InChI: InChI=1S/C31H34N4O4S2/c1-31(2,3)35-41(38,39)25-17-16-24(22-14-7-8-15-23(22)25)27-26(19-10-9-11-20(18-19)28(32)36)34-30(40-27)29(37)33-21-12-5-4-6-13-21/h7-11,14-18,21,35H,4-6,12-13H2,1-3H3,(H2,32,36)(H,33,37)
• InChIKey: PEGHNPQECLOLDX-UHFFFAOYSA-N
• XLogP: 5.87
• TPSA: 131.25 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	590.77
LogP ≤ 5	5.87
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-[4-(tert-butylsulfamoyl)naphthalen-1-yl]-4-(3-carbamoylphenyl)-N-cyclohexyl-1,3-thiazole-2-carboxamide?

The IUPAC name of 5-[4-(tert-butylsulfamoyl)naphthalen-1-yl]-4-(3-carbamoylphenyl)-N-cyclohexyl-1,3-thiazole-2-carboxamide (CID 118186114) is 5-[4-(tert-butylsulfamoyl)naphthalen-1-yl]-4-(3-carbamoylphenyl)-N-cyclohexyl-1,3-thiazole-2-carboxamide.

What is the SMILES notation for 5-[4-(tert-butylsulfamoyl)naphthalen-1-yl]-4-(3-carbamoylphenyl)-N-cyclohexyl-1,3-thiazole-2-carboxamide?

The canonical SMILES for 5-[4-(tert-butylsulfamoyl)naphthalen-1-yl]-4-(3-carbamoylphenyl)-N-cyclohexyl-1,3-thiazole-2-carboxamide is CC(C)(C)NS(=O)(=O)c1ccc(-c2sc(C(=O)NC3CCCCC3)nc2-c2cccc(C(N)=O)c2)c2ccccc12.

What is the InChIKey of 5-[4-(tert-butylsulfamoyl)naphthalen-1-yl]-4-(3-carbamoylphenyl)-N-cyclohexyl-1,3-thiazole-2-carboxamide?

The InChIKey is PEGHNPQECLOLDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H34N4O4S2/c1-31(2,3)35-41(38,39)25-17-16-24(22-14-7-8-15-23(22)25)27-26(19-10-9-11-20(18-19)28(32)36)34-30(40-27)29(37)33-21-12-5-4-6-13-21/h7-11,14-18,21,35H,4-6,12-13H2,1-3H3,(H2,32,36)(H,33,37).

What are the key properties of 5-[4-(tert-butylsulfamoyl)naphthalen-1-yl]-4-(3-carbamoylphenyl)-N-cyclohexyl-1,3-thiazole-2-carboxamide?

5-[4-(tert-butylsulfamoyl)naphthalen-1-yl]-4-(3-carbamoylphenyl)-N-cyclohexyl-1,3-thiazole-2-carboxamide has a molecular weight of 590.77 g/mol, XLogP of 5.87, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-(tert-butylsulfamoyl)naphthalen-1-yl]-4-(3-carbamoylphenyl)-N-cyclohexyl-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 118186114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).