N-(5-acetamido-2-methoxyphenyl)-2-thiophen-3-ylacetamide

C15H16N2O3S — CID 17419618

IUPACN-(5-acetamido-2-methoxyphenyl)-2-thiophen-3-ylacetamide
SMILESCOc1ccc(NC(C)=O)cc1NC(=O)Cc1ccsc1
InChIInChI=1S/C15H16N2O3S/c1-10(18)16-12-3-4-14(20-2)13(8-12)17-15(19)7-11-5-6-21-9-11/h3-6,8-9H,7H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyRCTKVMUHMPTBDF-UHFFFAOYSA-N
MW304.37 g/mol
LogP2.90
Rot. Bonds5

About N-(5-acetamido-2-methoxyphenyl)-2-thiophen-3-ylacetamide

N-(5-acetamido-2-methoxyphenyl)-2-thiophen-3-ylacetamide (PubChem CID 17419618) has the molecular formula C15H16N2O3S and a molecular weight of 304.37 g/mol. Its IUPAC name is N-(5-acetamido-2-methoxyphenyl)-2-thiophen-3-ylacetamide.

Molecular Properties

Compound NameN-(5-acetamido-2-methoxyphenyl)-2-thiophen-3-ylacetamide
PubChem CID17419618
Molecular FormulaC15H16N2O3S
Molecular Weight304.37 g/mol
Exact Mass304.09
IUPAC NameN-(5-acetamido-2-methoxyphenyl)-2-thiophen-3-ylacetamide
SMILESCOc1ccc(NC(C)=O)cc1NC(=O)Cc1ccsc1
InChIInChI=1S/C15H16N2O3S/c1-10(18)16-12-3-4-14(20-2)13(8-12)17-15(19)7-11-5-6-21-9-11/h3-6,8-9H,7H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyRCTKVMUHMPTBDF-UHFFFAOYSA-N
XLogP2.90
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5-acetamido-2-methoxyphenyl)-2-thiophen-3-ylacetamide?
The IUPAC name of N-(5-acetamido-2-methoxyphenyl)-2-thiophen-3-ylacetamide (CID 17419618) is N-(5-acetamido-2-methoxyphenyl)-2-thiophen-3-ylacetamide.
What is the SMILES notation for N-(5-acetamido-2-methoxyphenyl)-2-thiophen-3-ylacetamide?
The canonical SMILES for N-(5-acetamido-2-methoxyphenyl)-2-thiophen-3-ylacetamide is COc1ccc(NC(C)=O)cc1NC(=O)Cc1ccsc1.
What is the InChIKey of N-(5-acetamido-2-methoxyphenyl)-2-thiophen-3-ylacetamide?
The InChIKey is RCTKVMUHMPTBDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3S/c1-10(18)16-12-3-4-14(20-2)13(8-12)17-15(19)7-11-5-6-21-9-11/h3-6,8-9H,7H2,1-2H3,(H,16,18)(H,17,19).
What are the key properties of N-(5-acetamido-2-methoxyphenyl)-2-thiophen-3-ylacetamide?
N-(5-acetamido-2-methoxyphenyl)-2-thiophen-3-ylacetamide has a molecular weight of 304.37 g/mol, XLogP of 2.90, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetamido-2-methoxyphenyl)-2-thiophen-3-ylacetamide is sourced from PubChem (CID 17419618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).