propan-2-yl N-[4-[5-[2-(ethylsulfamoyl)-4-[(5-propan-2-ylpyrazin-2-yl)amino]phenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamate

C28H38N6O4S2 — CID 155100702

About propan-2-yl N-[4-[5-[2-(ethylsulfamoyl)-4-[(5-propan-2-ylpyrazin-2-yl)amino]phenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamate

propan-2-yl N-[4-[5-[2-(ethylsulfamoyl)-4-[(5-propan-2-ylpyrazin-2-yl)amino]phenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamate (PubChem CID 155100702) has the molecular formula C28H38N6O4S2 and a molecular weight of 586.78 g/mol. Its IUPAC name is propan-2-yl N-[4-[5-[2-(ethylsulfamoyl)-4-[(5-propan-2-ylpyrazin-2-yl)amino]phenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamate.

Molecular Properties

• Compound Name: propan-2-yl N-[4-[5-[2-(ethylsulfamoyl)-4-[(5-propan-2-ylpyrazin-2-yl)amino]phenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamate
• PubChem CID: 155100702
• Molecular Formula: C28H38N6O4S2
• Molecular Weight: 586.78 g/mol
• Exact Mass: 586.24
• IUPAC Name: propan-2-yl N-[4-[5-[2-(ethylsulfamoyl)-4-[(5-propan-2-ylpyrazin-2-yl)amino]phenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamate
• SMILES: CCNS(=O)(=O)c1cc(Nc2cnc(C(C)C)cn2)ccc1-c1cnc(C2CCC(NC(=O)OC(C)C)CC2)s1
• InChI: InChI=1S/C28H38N6O4S2/c1-6-32-40(36,37)25-13-21(33-26-16-29-23(14-30-26)17(2)3)11-12-22(25)24-15-31-27(39-24)19-7-9-20(10-8-19)34-28(35)38-18(4)5/h11-20,32H,6-10H2,1-5H3,(H,30,33)(H,34,35)
• InChIKey: WAZQMRLOLNCDND-UHFFFAOYSA-N
• XLogP: 5.93
• TPSA: 135.20 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 10
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	586.78
LogP ≤ 5	5.93
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-[4-[5-[2-(ethylsulfamoyl)-4-[(5-propan-2-ylpyrazin-2-yl)amino]phenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamate?

The IUPAC name of propan-2-yl N-[4-[5-[2-(ethylsulfamoyl)-4-[(5-propan-2-ylpyrazin-2-yl)amino]phenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamate (CID 155100702) is propan-2-yl N-[4-[5-[2-(ethylsulfamoyl)-4-[(5-propan-2-ylpyrazin-2-yl)amino]phenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamate.

What is the SMILES notation for propan-2-yl N-[4-[5-[2-(ethylsulfamoyl)-4-[(5-propan-2-ylpyrazin-2-yl)amino]phenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamate?

The canonical SMILES for propan-2-yl N-[4-[5-[2-(ethylsulfamoyl)-4-[(5-propan-2-ylpyrazin-2-yl)amino]phenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamate is CCNS(=O)(=O)c1cc(Nc2cnc(C(C)C)cn2)ccc1-c1cnc(C2CCC(NC(=O)OC(C)C)CC2)s1.

What is the InChIKey of propan-2-yl N-[4-[5-[2-(ethylsulfamoyl)-4-[(5-propan-2-ylpyrazin-2-yl)amino]phenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamate?

The InChIKey is WAZQMRLOLNCDND-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H38N6O4S2/c1-6-32-40(36,37)25-13-21(33-26-16-29-23(14-30-26)17(2)3)11-12-22(25)24-15-31-27(39-24)19-7-9-20(10-8-19)34-28(35)38-18(4)5/h11-20,32H,6-10H2,1-5H3,(H,30,33)(H,34,35).

What are the key properties of propan-2-yl N-[4-[5-[2-(ethylsulfamoyl)-4-[(5-propan-2-ylpyrazin-2-yl)amino]phenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamate?

propan-2-yl N-[4-[5-[2-(ethylsulfamoyl)-4-[(5-propan-2-ylpyrazin-2-yl)amino]phenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamate has a molecular weight of 586.78 g/mol, XLogP of 5.93, 10 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for propan-2-yl N-[4-[5-[2-(ethylsulfamoyl)-4-[(5-propan-2-ylpyrazin-2-yl)amino]phenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamate is sourced from PubChem (CID 155100702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).