3,5-diamino-6-chloro-N-[8-[3-[[2-(dimethylamino)-2-oxoethyl]sulfamoyl]benzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide

C23H29ClN10O5S — CID 58447424

About 3,5-diamino-6-chloro-N-[8-[3-[[2-(dimethylamino)-2-oxoethyl]sulfamoyl]benzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide

3,5-diamino-6-chloro-N-[8-[3-[[2-(dimethylamino)-2-oxoethyl]sulfamoyl]benzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide (PubChem CID 58447424) has the molecular formula C23H29ClN10O5S and a molecular weight of 593.07 g/mol. Its IUPAC name is 3,5-diamino-6-chloro-N-[8-[3-[[2-(dimethylamino)-2-oxoethyl]sulfamoyl]benzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide.

Molecular Properties

• Compound Name: 3,5-diamino-6-chloro-N-[8-[3-[[2-(dimethylamino)-2-oxoethyl]sulfamoyl]benzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide
• PubChem CID: 58447424
• Molecular Formula: C23H29ClN10O5S
• Molecular Weight: 593.07 g/mol
• Exact Mass: 592.17
• IUPAC Name: 3,5-diamino-6-chloro-N-[8-[3-[[2-(dimethylamino)-2-oxoethyl]sulfamoyl]benzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide
• SMILES: CN(C)C(=O)CNS(=O)(=O)c1cccc(C(=O)N2CCC3(CC2)CN=C(NC(=O)c2nc(Cl)c(N)nc2N)N3)c1
• InChI: InChI=1S/C23H29ClN10O5S/c1-33(2)15(35)11-28-40(38,39)14-5-3-4-13(10-14)21(37)34-8-6-23(7-9-34)12-27-22(32-23)31-20(36)16-18(25)30-19(26)17(24)29-16/h3-5,10,28H,6-9,11-12H2,1-2H3,(H4,25,26,30)(H2,27,31,32,36)
• InChIKey: VVKFAXBDWOMNLQ-UHFFFAOYSA-N
• XLogP: -0.98
• TPSA: 218.10 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 11
• Rotatable Bonds: 6
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	593.07
LogP ≤ 5	-0.98
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 3,5-diamino-6-chloro-N-[8-[3-[[2-(dimethylamino)-2-oxoethyl]sulfamoyl]benzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide?

The IUPAC name of 3,5-diamino-6-chloro-N-[8-[3-[[2-(dimethylamino)-2-oxoethyl]sulfamoyl]benzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide (CID 58447424) is 3,5-diamino-6-chloro-N-[8-[3-[[2-(dimethylamino)-2-oxoethyl]sulfamoyl]benzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide.

What is the SMILES notation for 3,5-diamino-6-chloro-N-[8-[3-[[2-(dimethylamino)-2-oxoethyl]sulfamoyl]benzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide?

The canonical SMILES for 3,5-diamino-6-chloro-N-[8-[3-[[2-(dimethylamino)-2-oxoethyl]sulfamoyl]benzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide is CN(C)C(=O)CNS(=O)(=O)c1cccc(C(=O)N2CCC3(CC2)CN=C(NC(=O)c2nc(Cl)c(N)nc2N)N3)c1.

What is the InChIKey of 3,5-diamino-6-chloro-N-[8-[3-[[2-(dimethylamino)-2-oxoethyl]sulfamoyl]benzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide?

The InChIKey is VVKFAXBDWOMNLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29ClN10O5S/c1-33(2)15(35)11-28-40(38,39)14-5-3-4-13(10-14)21(37)34-8-6-23(7-9-34)12-27-22(32-23)31-20(36)16-18(25)30-19(26)17(24)29-16/h3-5,10,28H,6-9,11-12H2,1-2H3,(H4,25,26,30)(H2,27,31,32,36).

What are the key properties of 3,5-diamino-6-chloro-N-[8-[3-[[2-(dimethylamino)-2-oxoethyl]sulfamoyl]benzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide?

3,5-diamino-6-chloro-N-[8-[3-[[2-(dimethylamino)-2-oxoethyl]sulfamoyl]benzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide has a molecular weight of 593.07 g/mol, XLogP of -0.98, 6 rotatable bonds, 5 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 3,5-diamino-6-chloro-N-[8-[3-[[2-(dimethylamino)-2-oxoethyl]sulfamoyl]benzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 58447424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).