methyl 3-carbamoyl-2-[(3-methylbenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate

C18H19N3O4S — CID 7588827

About methyl 3-carbamoyl-2-[(3-methylbenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate

methyl 3-carbamoyl-2-[(3-methylbenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate (PubChem CID 7588827) has the molecular formula C18H19N3O4S and a molecular weight of 373.43 g/mol. Its IUPAC name is methyl 3-carbamoyl-2-[(3-methylbenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate.

Molecular Properties

• Compound Name: methyl 3-carbamoyl-2-[(3-methylbenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate
• PubChem CID: 7588827
• Molecular Formula: C18H19N3O4S
• Molecular Weight: 373.43 g/mol
• Exact Mass: 373.11
• IUPAC Name: methyl 3-carbamoyl-2-[(3-methylbenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate
• SMILES: COC(=O)N1CCc2c(sc(NC(=O)c3cccc(C)c3)c2C(N)=O)C1
• InChI: InChI=1S/C18H19N3O4S/c1-10-4-3-5-11(8-10)16(23)20-17-14(15(19)22)12-6-7-21(18(24)25-2)9-13(12)26-17/h3-5,8H,6-7,9H2,1-2H3,(H2,19,22)(H,20,23)
• InChIKey: ZGCRMOXHFWFSLA-UHFFFAOYSA-N
• XLogP: 2.53
• TPSA: 101.73 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	373.43
LogP ≤ 5	2.53
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of methyl 3-carbamoyl-2-[(3-methylbenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate?

The IUPAC name of methyl 3-carbamoyl-2-[(3-methylbenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate (CID 7588827) is methyl 3-carbamoyl-2-[(3-methylbenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate.

What is the SMILES notation for methyl 3-carbamoyl-2-[(3-methylbenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate?

The canonical SMILES for methyl 3-carbamoyl-2-[(3-methylbenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate is COC(=O)N1CCc2c(sc(NC(=O)c3cccc(C)c3)c2C(N)=O)C1.

What is the InChIKey of methyl 3-carbamoyl-2-[(3-methylbenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate?

The InChIKey is ZGCRMOXHFWFSLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O4S/c1-10-4-3-5-11(8-10)16(23)20-17-14(15(19)22)12-6-7-21(18(24)25-2)9-13(12)26-17/h3-5,8H,6-7,9H2,1-2H3,(H2,19,22)(H,20,23).

What are the key properties of methyl 3-carbamoyl-2-[(3-methylbenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate?

methyl 3-carbamoyl-2-[(3-methylbenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate has a molecular weight of 373.43 g/mol, XLogP of 2.53, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 3-carbamoyl-2-[(3-methylbenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate is sourced from PubChem (CID 7588827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).