2-[(3-chlorophenyl)methylcarbamoylamino]-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide

C18H21ClN4O2S — CID 118307342

About 2-[(3-chlorophenyl)methylcarbamoylamino]-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide

2-[(3-chlorophenyl)methylcarbamoylamino]-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide (PubChem CID 118307342) has the molecular formula C18H21ClN4O2S and a molecular weight of 392.91 g/mol. Its IUPAC name is 2-[(3-chlorophenyl)methylcarbamoylamino]-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 2-[(3-chlorophenyl)methylcarbamoylamino]-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
• PubChem CID: 118307342
• Molecular Formula: C18H21ClN4O2S
• Molecular Weight: 392.91 g/mol
• Exact Mass: 392.11
• IUPAC Name: 2-[(3-chlorophenyl)methylcarbamoylamino]-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
• SMILES: CCN1CCc2c(sc(NC(=O)NCc3cccc(Cl)c3)c2C(N)=O)C1
• InChI: InChI=1S/C18H21ClN4O2S/c1-2-23-7-6-13-14(10-23)26-17(15(13)16(20)24)22-18(25)21-9-11-4-3-5-12(19)8-11/h3-5,8H,2,6-7,9-10H2,1H3,(H2,20,24)(H2,21,22,25)
• InChIKey: LDFQPTGZLNMWPE-UHFFFAOYSA-N
• XLogP: 3.20
• TPSA: 87.46 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	392.91
LogP ≤ 5	3.20
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chlorophenyl)methylcarbamoylamino]-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?

The IUPAC name of 2-[(3-chlorophenyl)methylcarbamoylamino]-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide (CID 118307342) is 2-[(3-chlorophenyl)methylcarbamoylamino]-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide.

What is the SMILES notation for 2-[(3-chlorophenyl)methylcarbamoylamino]-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?

The canonical SMILES for 2-[(3-chlorophenyl)methylcarbamoylamino]-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide is CCN1CCc2c(sc(NC(=O)NCc3cccc(Cl)c3)c2C(N)=O)C1.

What is the InChIKey of 2-[(3-chlorophenyl)methylcarbamoylamino]-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?

The InChIKey is LDFQPTGZLNMWPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN4O2S/c1-2-23-7-6-13-14(10-23)26-17(15(13)16(20)24)22-18(25)21-9-11-4-3-5-12(19)8-11/h3-5,8H,2,6-7,9-10H2,1H3,(H2,20,24)(H2,21,22,25).

What are the key properties of 2-[(3-chlorophenyl)methylcarbamoylamino]-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?

2-[(3-chlorophenyl)methylcarbamoylamino]-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide has a molecular weight of 392.91 g/mol, XLogP of 3.20, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(3-chlorophenyl)methylcarbamoylamino]-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 118307342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).