N,3-dimethyl-N-[(2,3,4-trimethoxyphenyl)methyl]thiophene-2-carboxamide

C17H21NO4S — CID 29358315

IUPACN,3-dimethyl-N-[(2,3,4-trimethoxyphenyl)methyl]thiophene-2-carboxamide
SMILESCOc1ccc(CN(C)C(=O)c2sccc2C)c(OC)c1OC
InChIInChI=1S/C17H21NO4S/c1-11-8-9-23-16(11)17(19)18(2)10-12-6-7-13(20-3)15(22-5)14(12)21-4/h6-9H,10H2,1-5H3
InChIKeyIDVSOESKGYVNFR-UHFFFAOYSA-N
MW335.43 g/mol
LogP3.35
Rot. Bonds6

About N,3-dimethyl-N-[(2,3,4-trimethoxyphenyl)methyl]thiophene-2-carboxamide

N,3-dimethyl-N-[(2,3,4-trimethoxyphenyl)methyl]thiophene-2-carboxamide (PubChem CID 29358315) has the molecular formula C17H21NO4S and a molecular weight of 335.43 g/mol. Its IUPAC name is N,3-dimethyl-N-[(2,3,4-trimethoxyphenyl)methyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN,3-dimethyl-N-[(2,3,4-trimethoxyphenyl)methyl]thiophene-2-carboxamide
PubChem CID29358315
Molecular FormulaC17H21NO4S
Molecular Weight335.43 g/mol
Exact Mass335.12
IUPAC NameN,3-dimethyl-N-[(2,3,4-trimethoxyphenyl)methyl]thiophene-2-carboxamide
SMILESCOc1ccc(CN(C)C(=O)c2sccc2C)c(OC)c1OC
InChIInChI=1S/C17H21NO4S/c1-11-8-9-23-16(11)17(19)18(2)10-12-6-7-13(20-3)15(22-5)14(12)21-4/h6-9H,10H2,1-5H3
InChIKeyIDVSOESKGYVNFR-UHFFFAOYSA-N
XLogP3.35
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N,3-dimethyl-N-[(2,3,4-trimethoxyphenyl)methyl]thiophene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,2-dimethyl-N-[(2,3,4-trimethoxyphenyl)methyl]benzamide
CID 18113258
N,4-dimethyl-N-[(2,3,4-trimethoxyphenyl)methyl]benzamide
CID 17399115
N-methyl-6-oxo-N-[(2,3,4-trimethoxyphenyl)methyl]-1H-pyridine-3-carboxamide
CID 18113298
2-ethoxy-N-methyl-N-[(2,3,4-trimethoxyphenyl)methyl]benzamide
CID 18113269
N-[3-[methyl-[(2,3,4-trimethoxyphenyl)methyl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 18113327
N-[(2-bromophenyl)methyl]-3-methoxy-N-methylthiophene-2-carboxamide
CID 78945937
N-[(2,4-dimethoxy-3-methylphenyl)methyl]-N-methylcarbamoyl chloride
CID 115194800
N-[[4-[(dimethylamino)methyl]phenyl]methyl]-2-(2,3,4-trimethoxyphenyl)acetamide
CID 8533572
4-fluoro-N-[2-[methyl-[(2,3,4-trimethoxyphenyl)methyl]amino]-2-oxoethyl]benzamide
CID 18113370
1-methyl-3-(5-methyl-1,2-oxazol-3-yl)-1-[(2,3,4-trimethoxyphenyl)methyl]urea
CID 18101661
N-[(2,3-dimethoxyphenyl)methyl]-N,3,5-trimethylbenzamide
CID 7936275
N-[(2,4-dimethylphenyl)methyl]-3,4,5-trimethoxy-N-methylbenzamide
CID 18117054

Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-N-[(2,3,4-trimethoxyphenyl)methyl]thiophene-2-carboxamide?
The IUPAC name of N,3-dimethyl-N-[(2,3,4-trimethoxyphenyl)methyl]thiophene-2-carboxamide (CID 29358315) is N,3-dimethyl-N-[(2,3,4-trimethoxyphenyl)methyl]thiophene-2-carboxamide.
What is the SMILES notation for N,3-dimethyl-N-[(2,3,4-trimethoxyphenyl)methyl]thiophene-2-carboxamide?
The canonical SMILES for N,3-dimethyl-N-[(2,3,4-trimethoxyphenyl)methyl]thiophene-2-carboxamide is COc1ccc(CN(C)C(=O)c2sccc2C)c(OC)c1OC.
What is the InChIKey of N,3-dimethyl-N-[(2,3,4-trimethoxyphenyl)methyl]thiophene-2-carboxamide?
The InChIKey is IDVSOESKGYVNFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO4S/c1-11-8-9-23-16(11)17(19)18(2)10-12-6-7-13(20-3)15(22-5)14(12)21-4/h6-9H,10H2,1-5H3.
What are the key properties of N,3-dimethyl-N-[(2,3,4-trimethoxyphenyl)methyl]thiophene-2-carboxamide?
N,3-dimethyl-N-[(2,3,4-trimethoxyphenyl)methyl]thiophene-2-carboxamide has a molecular weight of 335.43 g/mol, XLogP of 3.35, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-N-[(2,3,4-trimethoxyphenyl)methyl]thiophene-2-carboxamide is sourced from PubChem (CID 29358315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).