2-[[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylbenzoyl]amino]-N-methyl-6-propyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide

C25H34N4O5S2 — CID 6359701

About 2-[[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylbenzoyl]amino]-N-methyl-6-propyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide

2-[[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylbenzoyl]amino]-N-methyl-6-propyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide (PubChem CID 6359701) has the molecular formula C25H34N4O5S2 and a molecular weight of 534.70 g/mol. Its IUPAC name is 2-[[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylbenzoyl]amino]-N-methyl-6-propyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 2-[[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylbenzoyl]amino]-N-methyl-6-propyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
• PubChem CID: 6359701
• Molecular Formula: C25H34N4O5S2
• Molecular Weight: 534.70 g/mol
• Exact Mass: 534.20
• IUPAC Name: 2-[[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylbenzoyl]amino]-N-methyl-6-propyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
• SMILES: CCCN1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N4C[C@H](C)O[C@@H](C)C4)cc3)c2C(=O)NC)C1
• InChI: InChI=1S/C25H34N4O5S2/c1-5-11-28-12-10-20-21(15-28)35-25(22(20)24(31)26-4)27-23(30)18-6-8-19(9-7-18)36(32,33)29-13-16(2)34-17(3)14-29/h6-9,16-17H,5,10-15H2,1-4H3,(H,26,31)(H,27,30)/t16-,17-/m0/s1
• InChIKey: QBCHOPWYCMQXIA-IRXDYDNUSA-N
• XLogP: 2.93
• TPSA: 108.05 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	534.70
LogP ≤ 5	2.93
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylbenzoyl]amino]-N-methyl-6-propyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?

The IUPAC name of 2-[[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylbenzoyl]amino]-N-methyl-6-propyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide (CID 6359701) is 2-[[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylbenzoyl]amino]-N-methyl-6-propyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide.

What is the SMILES notation for 2-[[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylbenzoyl]amino]-N-methyl-6-propyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?

The canonical SMILES for 2-[[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylbenzoyl]amino]-N-methyl-6-propyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide is CCCN1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N4C[C@H](C)O[C@@H](C)C4)cc3)c2C(=O)NC)C1.

What is the InChIKey of 2-[[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylbenzoyl]amino]-N-methyl-6-propyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?

The InChIKey is QBCHOPWYCMQXIA-IRXDYDNUSA-N. The full InChI is InChI=1S/C25H34N4O5S2/c1-5-11-28-12-10-20-21(15-28)35-25(22(20)24(31)26-4)27-23(30)18-6-8-19(9-7-18)36(32,33)29-13-16(2)34-17(3)14-29/h6-9,16-17H,5,10-15H2,1-4H3,(H,26,31)(H,27,30)/t16-,17-/m0/s1.

What are the key properties of 2-[[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylbenzoyl]amino]-N-methyl-6-propyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?

2-[[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylbenzoyl]amino]-N-methyl-6-propyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide has a molecular weight of 534.70 g/mol, XLogP of 2.93, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylbenzoyl]amino]-N-methyl-6-propyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 6359701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).