2-[[4-[bis(2-methoxyethyl)sulfamoyl]benzoyl]amino]-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide

C22H30N4O6S2 — CID 3649730

About 2-[[4-[bis(2-methoxyethyl)sulfamoyl]benzoyl]amino]-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide

2-[[4-[bis(2-methoxyethyl)sulfamoyl]benzoyl]amino]-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide (PubChem CID 3649730) has the molecular formula C22H30N4O6S2 and a molecular weight of 510.64 g/mol. Its IUPAC name is 2-[[4-[bis(2-methoxyethyl)sulfamoyl]benzoyl]amino]-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 2-[[4-[bis(2-methoxyethyl)sulfamoyl]benzoyl]amino]-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
• PubChem CID: 3649730
• Molecular Formula: C22H30N4O6S2
• Molecular Weight: 510.64 g/mol
• Exact Mass: 510.16
• IUPAC Name: 2-[[4-[bis(2-methoxyethyl)sulfamoyl]benzoyl]amino]-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
• SMILES: COCCN(CCOC)S(=O)(=O)c1ccc(C(=O)Nc2sc3c(c2C(N)=O)CCN(C)C3)cc1
• InChI: InChI=1S/C22H30N4O6S2/c1-25-9-8-17-18(14-25)33-22(19(17)20(23)27)24-21(28)15-4-6-16(7-5-15)34(29,30)26(10-12-31-2)11-13-32-3/h4-7H,8-14H2,1-3H3,(H2,23,27)(H,24,28)
• InChIKey: CKFCKWJYBFDTNH-UHFFFAOYSA-N
• XLogP: 1.37
• TPSA: 131.27 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 11
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	510.64
LogP ≤ 5	1.37
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[bis(2-methoxyethyl)sulfamoyl]benzoyl]amino]-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?

The IUPAC name of 2-[[4-[bis(2-methoxyethyl)sulfamoyl]benzoyl]amino]-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide (CID 3649730) is 2-[[4-[bis(2-methoxyethyl)sulfamoyl]benzoyl]amino]-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide.

What is the SMILES notation for 2-[[4-[bis(2-methoxyethyl)sulfamoyl]benzoyl]amino]-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?

The canonical SMILES for 2-[[4-[bis(2-methoxyethyl)sulfamoyl]benzoyl]amino]-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide is COCCN(CCOC)S(=O)(=O)c1ccc(C(=O)Nc2sc3c(c2C(N)=O)CCN(C)C3)cc1.

What is the InChIKey of 2-[[4-[bis(2-methoxyethyl)sulfamoyl]benzoyl]amino]-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?

The InChIKey is CKFCKWJYBFDTNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O6S2/c1-25-9-8-17-18(14-25)33-22(19(17)20(23)27)24-21(28)15-4-6-16(7-5-15)34(29,30)26(10-12-31-2)11-13-32-3/h4-7H,8-14H2,1-3H3,(H2,23,27)(H,24,28).

What are the key properties of 2-[[4-[bis(2-methoxyethyl)sulfamoyl]benzoyl]amino]-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?

2-[[4-[bis(2-methoxyethyl)sulfamoyl]benzoyl]amino]-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide has a molecular weight of 510.64 g/mol, XLogP of 1.37, 11 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[4-[bis(2-methoxyethyl)sulfamoyl]benzoyl]amino]-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 3649730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).