3-[[2-(3-chloro-4-hydroxyphenyl)acetyl]amino]-N-methylthiophene-2-carboxamide

C₁₄H₁₃ClN₂O₃S — CID 162685439

About 3-[[2-(3-chloro-4-hydroxyphenyl)acetyl]amino]-N-methylthiophene-2-carboxamide

3-[[2-(3-chloro-4-hydroxyphenyl)acetyl]amino]-N-methylthiophene-2-carboxamide (PubChem CID 162685439) has the molecular formula C₁₄H₁₃ClN₂O₃S and a molecular weight of 324.79 g/mol. Its IUPAC name is 3-[[2-(3-chloro-4-hydroxyphenyl)acetyl]amino]-N-methylthiophene-2-carboxamide.

Molecular Properties

• Compound Name: 3-[[2-(3-chloro-4-hydroxyphenyl)acetyl]amino]-N-methylthiophene-2-carboxamide
• PubChem CID: 162685439
• Molecular Formula: C₁₄H₁₃ClN₂O₃S
• Molecular Weight: 324.79 g/mol
• Exact Mass: 324.03
• IUPAC Name: 3-[[2-(3-chloro-4-hydroxyphenyl)acetyl]amino]-N-methylthiophene-2-carboxamide
• SMILES: CNC(=O)c1sccc1NC(=O)Cc1ccc(O)c(Cl)c1
• InChI: InChI=1S/C14H13ClN2O3S/c1-16-14(20)13-10(4-5-21-13)17-12(19)7-8-2-3-11(18)9(15)6-8/h2-6,18H,7H2,1H3,(H,16,20)(H,17,19)
• InChIKey: RBAAGLGQPDLGFB-UHFFFAOYSA-N
• XLogP: 2.65
• TPSA: 78.43 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	324.79
LogP ≤ 5	2.65
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(3-chloro-4-hydroxyphenyl)acetyl]amino]-N-methylthiophene-2-carboxamide?

The IUPAC name of 3-[[2-(3-chloro-4-hydroxyphenyl)acetyl]amino]-N-methylthiophene-2-carboxamide (CID 162685439) is 3-[[2-(3-chloro-4-hydroxyphenyl)acetyl]amino]-N-methylthiophene-2-carboxamide.

What is the SMILES notation for 3-[[2-(3-chloro-4-hydroxyphenyl)acetyl]amino]-N-methylthiophene-2-carboxamide?

The canonical SMILES for 3-[[2-(3-chloro-4-hydroxyphenyl)acetyl]amino]-N-methylthiophene-2-carboxamide is CNC(=O)c1sccc1NC(=O)Cc1ccc(O)c(Cl)c1.

What is the InChIKey of 3-[[2-(3-chloro-4-hydroxyphenyl)acetyl]amino]-N-methylthiophene-2-carboxamide?

The InChIKey is RBAAGLGQPDLGFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O3S/c1-16-14(20)13-10(4-5-21-13)17-12(19)7-8-2-3-11(18)9(15)6-8/h2-6,18H,7H2,1H3,(H,16,20)(H,17,19).

What are the key properties of 3-[[2-(3-chloro-4-hydroxyphenyl)acetyl]amino]-N-methylthiophene-2-carboxamide?

3-[[2-(3-chloro-4-hydroxyphenyl)acetyl]amino]-N-methylthiophene-2-carboxamide has a molecular weight of 324.79 g/mol, XLogP of 2.65, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[[2-(3-chloro-4-hydroxyphenyl)acetyl]amino]-N-methylthiophene-2-carboxamide is sourced from PubChem (CID 162685439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 162685439 — identifiers, structure, computed properties (public domain)

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