N-[5-[(2,6-dimethylphenyl)sulfamoyl]-6-[[N-[[5-[(1-ethylpyrazole-3-carbonyl)amino]-2-methoxy-3-pyridinyl]sulfonyl]-2,6-dimethylanilino]methoxy]-3-pyridinyl]-1-methyl-5-propylpyrazole-3-carboxamide

C42H48N10O8S2 — CID 166752160

About N-[5-[(2,6-dimethylphenyl)sulfamoyl]-6-[[N-[[5-[(1-ethylpyrazole-3-carbonyl)amino]-2-methoxy-3-pyridinyl]sulfonyl]-2,6-dimethylanilino]methoxy]-3-pyridinyl]-1-methyl-5-propylpyrazole-3-carboxamide

N-[5-[(2,6-dimethylphenyl)sulfamoyl]-6-[[N-[[5-[(1-ethylpyrazole-3-carbonyl)amino]-2-methoxy-3-pyridinyl]sulfonyl]-2,6-dimethylanilino]methoxy]-3-pyridinyl]-1-methyl-5-propylpyrazole-3-carboxamide (PubChem CID 166752160) has the molecular formula C42H48N10O8S2 and a molecular weight of 885.04 g/mol. Its IUPAC name is N-[5-[(2,6-dimethylphenyl)sulfamoyl]-6-[[N-[[5-[(1-ethylpyrazole-3-carbonyl)amino]-2-methoxy-3-pyridinyl]sulfonyl]-2,6-dimethylanilino]methoxy]-3-pyridinyl]-1-methyl-5-propylpyrazole-3-carboxamide.

Molecular Properties

• Compound Name: N-[5-[(2,6-dimethylphenyl)sulfamoyl]-6-[[N-[[5-[(1-ethylpyrazole-3-carbonyl)amino]-2-methoxy-3-pyridinyl]sulfonyl]-2,6-dimethylanilino]methoxy]-3-pyridinyl]-1-methyl-5-propylpyrazole-3-carboxamide
• PubChem CID: 166752160
• Molecular Formula: C42H48N10O8S2
• Molecular Weight: 885.04 g/mol
• Exact Mass: 884.31
• IUPAC Name: N-[5-[(2,6-dimethylphenyl)sulfamoyl]-6-[[N-[[5-[(1-ethylpyrazole-3-carbonyl)amino]-2-methoxy-3-pyridinyl]sulfonyl]-2,6-dimethylanilino]methoxy]-3-pyridinyl]-1-methyl-5-propylpyrazole-3-carboxamide
• SMILES: CCCc1cc(C(=O)Nc2cnc(OCN(c3c(C)cccc3C)S(=O)(=O)c3cc(NC(=O)c4ccn(CC)n4)cnc3OC)c(S(=O)(=O)Nc3c(C)cccc3C)c2)nn1C
• InChI: InChI=1S/C42H48N10O8S2/c1-9-13-32-22-34(47-50(32)7)40(54)46-30-20-35(61(55,56)49-37-26(3)14-11-15-27(37)4)42(44-24-30)60-25-52(38-28(5)16-12-17-29(38)6)62(57,58)36-21-31(23-43-41(36)59-8)45-39(53)33-18-19-51(10-2)48-33/h11-12,14-24,49H,9-10,13,25H2,1-8H3,(H,45,53)(H,46,54)
• InChIKey: ZBNPWNPSGOEZFM-UHFFFAOYSA-N
• XLogP: 6.16
• TPSA: 221.63 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 14
• Rotatable Bonds: 17
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	885.04
LogP ≤ 5	6.16
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[5-[(2,6-dimethylphenyl)sulfamoyl]-6-[[N-[[5-[(1-ethylpyrazole-3-carbonyl)amino]-2-methoxy-3-pyridinyl]sulfonyl]-2,6-dimethylanilino]methoxy]-3-pyridinyl]-1-methyl-5-propylpyrazole-3-carboxamide?

The IUPAC name of N-[5-[(2,6-dimethylphenyl)sulfamoyl]-6-[[N-[[5-[(1-ethylpyrazole-3-carbonyl)amino]-2-methoxy-3-pyridinyl]sulfonyl]-2,6-dimethylanilino]methoxy]-3-pyridinyl]-1-methyl-5-propylpyrazole-3-carboxamide (CID 166752160) is N-[5-[(2,6-dimethylphenyl)sulfamoyl]-6-[[N-[[5-[(1-ethylpyrazole-3-carbonyl)amino]-2-methoxy-3-pyridinyl]sulfonyl]-2,6-dimethylanilino]methoxy]-3-pyridinyl]-1-methyl-5-propylpyrazole-3-carboxamide.

What is the SMILES notation for N-[5-[(2,6-dimethylphenyl)sulfamoyl]-6-[[N-[[5-[(1-ethylpyrazole-3-carbonyl)amino]-2-methoxy-3-pyridinyl]sulfonyl]-2,6-dimethylanilino]methoxy]-3-pyridinyl]-1-methyl-5-propylpyrazole-3-carboxamide?

The canonical SMILES for N-[5-[(2,6-dimethylphenyl)sulfamoyl]-6-[[N-[[5-[(1-ethylpyrazole-3-carbonyl)amino]-2-methoxy-3-pyridinyl]sulfonyl]-2,6-dimethylanilino]methoxy]-3-pyridinyl]-1-methyl-5-propylpyrazole-3-carboxamide is CCCc1cc(C(=O)Nc2cnc(OCN(c3c(C)cccc3C)S(=O)(=O)c3cc(NC(=O)c4ccn(CC)n4)cnc3OC)c(S(=O)(=O)Nc3c(C)cccc3C)c2)nn1C.

What is the InChIKey of N-[5-[(2,6-dimethylphenyl)sulfamoyl]-6-[[N-[[5-[(1-ethylpyrazole-3-carbonyl)amino]-2-methoxy-3-pyridinyl]sulfonyl]-2,6-dimethylanilino]methoxy]-3-pyridinyl]-1-methyl-5-propylpyrazole-3-carboxamide?

The InChIKey is ZBNPWNPSGOEZFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H48N10O8S2/c1-9-13-32-22-34(47-50(32)7)40(54)46-30-20-35(61(55,56)49-37-26(3)14-11-15-27(37)4)42(44-24-30)60-25-52(38-28(5)16-12-17-29(38)6)62(57,58)36-21-31(23-43-41(36)59-8)45-39(53)33-18-19-51(10-2)48-33/h11-12,14-24,49H,9-10,13,25H2,1-8H3,(H,45,53)(H,46,54).

What are the key properties of N-[5-[(2,6-dimethylphenyl)sulfamoyl]-6-[[N-[[5-[(1-ethylpyrazole-3-carbonyl)amino]-2-methoxy-3-pyridinyl]sulfonyl]-2,6-dimethylanilino]methoxy]-3-pyridinyl]-1-methyl-5-propylpyrazole-3-carboxamide?

N-[5-[(2,6-dimethylphenyl)sulfamoyl]-6-[[N-[[5-[(1-ethylpyrazole-3-carbonyl)amino]-2-methoxy-3-pyridinyl]sulfonyl]-2,6-dimethylanilino]methoxy]-3-pyridinyl]-1-methyl-5-propylpyrazole-3-carboxamide has a molecular weight of 885.04 g/mol, XLogP of 6.16, 17 rotatable bonds, 3 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[(2,6-dimethylphenyl)sulfamoyl]-6-[[N-[[5-[(1-ethylpyrazole-3-carbonyl)amino]-2-methoxy-3-pyridinyl]sulfonyl]-2,6-dimethylanilino]methoxy]-3-pyridinyl]-1-methyl-5-propylpyrazole-3-carboxamide is sourced from PubChem (CID 166752160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).