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

C17H19NO4S — CID 18112110

IUPAC5-acetyl-N-[(2,3-dimethoxyphenyl)methyl]-N-methylthiophene-2-carboxamide
SMILESCOc1cccc(CN(C)C(=O)c2ccc(C(C)=O)s2)c1OC
InChIInChI=1S/C17H19NO4S/c1-11(19)14-8-9-15(23-14)17(20)18(2)10-12-6-5-7-13(21-3)16(12)22-4/h5-9H,10H2,1-4H3
InChIKeyBAIQYXVRVYYOLL-UHFFFAOYSA-N
MW333.41 g/mol
LogP3.24
Rot. Bonds6

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

5-acetyl-N-[(2,3-dimethoxyphenyl)methyl]-N-methylthiophene-2-carboxamide (PubChem CID 18112110) has the molecular formula C17H19NO4S and a molecular weight of 333.41 g/mol. Its IUPAC name is 5-acetyl-N-[(2,3-dimethoxyphenyl)methyl]-N-methylthiophene-2-carboxamide.

Molecular Properties

Compound Name5-acetyl-N-[(2,3-dimethoxyphenyl)methyl]-N-methylthiophene-2-carboxamide
PubChem CID18112110
Molecular FormulaC17H19NO4S
Molecular Weight333.41 g/mol
Exact Mass333.10
IUPAC Name5-acetyl-N-[(2,3-dimethoxyphenyl)methyl]-N-methylthiophene-2-carboxamide
SMILESCOc1cccc(CN(C)C(=O)c2ccc(C(C)=O)s2)c1OC
InChIInChI=1S/C17H19NO4S/c1-11(19)14-8-9-15(23-14)17(20)18(2)10-12-6-5-7-13(21-3)16(12)22-4/h5-9H,10H2,1-4H3
InChIKeyBAIQYXVRVYYOLL-UHFFFAOYSA-N
XLogP3.24
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-acetyl-N-[(2,3-dimethoxyphenyl)methyl]-N-methyl-1H-pyrrole-2-carboxamide
CID 18112118
N-[(2,3-dimethoxyphenyl)methyl]-N,3,5-trimethylbenzamide
CID 7936275
3-bromo-N-[(2,3-dimethoxyphenyl)methyl]-N-methylbenzamide
CID 7718898
5-chloro-N-[(2,3-dimethoxyphenyl)methyl]-N-methyl-1,3,4-thiadiazole-2-carboxamide
CID 80617794
3-chloro-N-[(2,3-dimethoxyphenyl)methyl]-4,5-dimethoxy-N-methylbenzamide
CID 18111968
2,5-dichloro-N-[(2,3-dimethoxyphenyl)methyl]-N-methylbenzamide
CID 18112013
N-[(2,3-dimethoxyphenyl)methyl]-3-methoxy-N-methylpyridine-2-carboxamide
CID 171676146
N-[(2,3-dimethoxyphenyl)methyl]-3-ethoxy-N-methylnaphthalene-2-carboxamide
CID 18131988
2-bromo-N-[(2,3-dimethoxyphenyl)methyl]-5-fluoro-N-methylbenzamide
CID 18112106
N-[(2,3-dimethoxyphenyl)methyl]-N,2,4,5-tetramethylfuran-3-carboxamide
CID 47012981
4-bromo-N-[(2,3-dimethoxyphenyl)methyl]-2-fluoro-N-methylbenzamide
CID 18112121
5-acetyl-N-methyl-N-[(2-nitrophenyl)methyl]thiophene-2-carboxamide
CID 46399191

Frequently Asked Questions

What is the IUPAC name of 5-acetyl-N-[(2,3-dimethoxyphenyl)methyl]-N-methylthiophene-2-carboxamide?
The IUPAC name of 5-acetyl-N-[(2,3-dimethoxyphenyl)methyl]-N-methylthiophene-2-carboxamide (CID 18112110) is 5-acetyl-N-[(2,3-dimethoxyphenyl)methyl]-N-methylthiophene-2-carboxamide.
What is the SMILES notation for 5-acetyl-N-[(2,3-dimethoxyphenyl)methyl]-N-methylthiophene-2-carboxamide?
The canonical SMILES for 5-acetyl-N-[(2,3-dimethoxyphenyl)methyl]-N-methylthiophene-2-carboxamide is COc1cccc(CN(C)C(=O)c2ccc(C(C)=O)s2)c1OC.
What is the InChIKey of 5-acetyl-N-[(2,3-dimethoxyphenyl)methyl]-N-methylthiophene-2-carboxamide?
The InChIKey is BAIQYXVRVYYOLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO4S/c1-11(19)14-8-9-15(23-14)17(20)18(2)10-12-6-5-7-13(21-3)16(12)22-4/h5-9H,10H2,1-4H3.
What are the key properties of 5-acetyl-N-[(2,3-dimethoxyphenyl)methyl]-N-methylthiophene-2-carboxamide?
5-acetyl-N-[(2,3-dimethoxyphenyl)methyl]-N-methylthiophene-2-carboxamide has a molecular weight of 333.41 g/mol, XLogP of 3.24, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-N-[(2,3-dimethoxyphenyl)methyl]-N-methylthiophene-2-carboxamide is sourced from PubChem (CID 18112110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).