5-acetamido-N-[(2,3-dimethoxyphenyl)methyl]-N-methylthiophene-2-carboxamide

C17H20N2O4S — CID 18129583

IUPAC5-acetamido-N-[(2,3-dimethoxyphenyl)methyl]-N-methylthiophene-2-carboxamide
SMILESCOc1cccc(CN(C)C(=O)c2ccc(NC(C)=O)s2)c1OC
InChIInChI=1S/C17H20N2O4S/c1-11(20)18-15-9-8-14(24-15)17(21)19(2)10-12-6-5-7-13(22-3)16(12)23-4/h5-9H,10H2,1-4H3,(H,18,20)
InChIKeyDJVKYSFAWGHVNT-UHFFFAOYSA-N
MW348.42 g/mol
LogP3.00
Rot. Bonds6

About 5-acetamido-N-[(2,3-dimethoxyphenyl)methyl]-N-methylthiophene-2-carboxamide

5-acetamido-N-[(2,3-dimethoxyphenyl)methyl]-N-methylthiophene-2-carboxamide (PubChem CID 18129583) has the molecular formula C17H20N2O4S and a molecular weight of 348.42 g/mol. Its IUPAC name is 5-acetamido-N-[(2,3-dimethoxyphenyl)methyl]-N-methylthiophene-2-carboxamide.

Molecular Properties

Compound Name5-acetamido-N-[(2,3-dimethoxyphenyl)methyl]-N-methylthiophene-2-carboxamide
PubChem CID18129583
Molecular FormulaC17H20N2O4S
Molecular Weight348.42 g/mol
Exact Mass348.11
IUPAC Name5-acetamido-N-[(2,3-dimethoxyphenyl)methyl]-N-methylthiophene-2-carboxamide
SMILESCOc1cccc(CN(C)C(=O)c2ccc(NC(C)=O)s2)c1OC
InChIInChI=1S/C17H20N2O4S/c1-11(20)18-15-9-8-14(24-15)17(21)19(2)10-12-6-5-7-13(22-3)16(12)23-4/h5-9H,10H2,1-4H3,(H,18,20)
InChIKeyDJVKYSFAWGHVNT-UHFFFAOYSA-N
XLogP3.00
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.42
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-acetamido-N-[(2,3-dimethoxyphenyl)methyl]-N-methylthiophene-2-carboxamide?
The IUPAC name of 5-acetamido-N-[(2,3-dimethoxyphenyl)methyl]-N-methylthiophene-2-carboxamide (CID 18129583) is 5-acetamido-N-[(2,3-dimethoxyphenyl)methyl]-N-methylthiophene-2-carboxamide.
What is the SMILES notation for 5-acetamido-N-[(2,3-dimethoxyphenyl)methyl]-N-methylthiophene-2-carboxamide?
The canonical SMILES for 5-acetamido-N-[(2,3-dimethoxyphenyl)methyl]-N-methylthiophene-2-carboxamide is COc1cccc(CN(C)C(=O)c2ccc(NC(C)=O)s2)c1OC.
What is the InChIKey of 5-acetamido-N-[(2,3-dimethoxyphenyl)methyl]-N-methylthiophene-2-carboxamide?
The InChIKey is DJVKYSFAWGHVNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4S/c1-11(20)18-15-9-8-14(24-15)17(21)19(2)10-12-6-5-7-13(22-3)16(12)23-4/h5-9H,10H2,1-4H3,(H,18,20).
What are the key properties of 5-acetamido-N-[(2,3-dimethoxyphenyl)methyl]-N-methylthiophene-2-carboxamide?
5-acetamido-N-[(2,3-dimethoxyphenyl)methyl]-N-methylthiophene-2-carboxamide has a molecular weight of 348.42 g/mol, XLogP of 3.00, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetamido-N-[(2,3-dimethoxyphenyl)methyl]-N-methylthiophene-2-carboxamide is sourced from PubChem (CID 18129583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).