N-[(5-chlorothiophen-2-yl)methyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-ethylbenzamide

C20H21ClN2O3S — CID 9168070

About N-[(5-chlorothiophen-2-yl)methyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-ethylbenzamide

N-[(5-chlorothiophen-2-yl)methyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-ethylbenzamide (PubChem CID 9168070) has the molecular formula C20H21ClN2O3S and a molecular weight of 404.92 g/mol. Its IUPAC name is N-[(5-chlorothiophen-2-yl)methyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-ethylbenzamide.

Molecular Properties

• Compound Name: N-[(5-chlorothiophen-2-yl)methyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-ethylbenzamide
• PubChem CID: 9168070
• Molecular Formula: C20H21ClN2O3S
• Molecular Weight: 404.92 g/mol
• Exact Mass: 404.10
• IUPAC Name: N-[(5-chlorothiophen-2-yl)methyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-ethylbenzamide
• SMILES: CCN(Cc1ccc(Cl)s1)C(=O)c1cccc(OCc2c(C)noc2C)c1
• InChI: InChI=1S/C20H21ClN2O3S/c1-4-23(11-17-8-9-19(21)27-17)20(24)15-6-5-7-16(10-15)25-12-18-13(2)22-26-14(18)3/h5-10H,4,11-12H2,1-3H3
• InChIKey: JXLPZMRBVXQTQD-UHFFFAOYSA-N
• XLogP: 5.25
• TPSA: 55.57 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	404.92
LogP ≤ 5	5.25
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-ethylbenzamide?

The IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-ethylbenzamide (CID 9168070) is N-[(5-chlorothiophen-2-yl)methyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-ethylbenzamide.

What is the SMILES notation for N-[(5-chlorothiophen-2-yl)methyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-ethylbenzamide?

The canonical SMILES for N-[(5-chlorothiophen-2-yl)methyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-ethylbenzamide is CCN(Cc1ccc(Cl)s1)C(=O)c1cccc(OCc2c(C)noc2C)c1.

What is the InChIKey of N-[(5-chlorothiophen-2-yl)methyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-ethylbenzamide?

The InChIKey is JXLPZMRBVXQTQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN2O3S/c1-4-23(11-17-8-9-19(21)27-17)20(24)15-6-5-7-16(10-15)25-12-18-13(2)22-26-14(18)3/h5-10H,4,11-12H2,1-3H3.

What are the key properties of N-[(5-chlorothiophen-2-yl)methyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-ethylbenzamide?

N-[(5-chlorothiophen-2-yl)methyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-ethylbenzamide has a molecular weight of 404.92 g/mol, XLogP of 5.25, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(5-chlorothiophen-2-yl)methyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-ethylbenzamide is sourced from PubChem (CID 9168070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).