3,4,6-trimethyl-N-(3-methyl-2-pyridinyl)-N-(thiophen-2-ylmethyl)-1-benzofuran-2-carboxamide

C23H22N2O2S — CID 35344672

IUPAC3,4,6-trimethyl-N-(3-methyl-2-pyridinyl)-N-(thiophen-2-ylmethyl)-1-benzofuran-2-carboxamide
SMILESCc1cc(C)c2c(C)c(C(=O)N(Cc3cccs3)c3ncccc3C)oc2c1
InChIInChI=1S/C23H22N2O2S/c1-14-11-16(3)20-17(4)21(27-19(20)12-14)23(26)25(13-18-8-6-10-28-18)22-15(2)7-5-9-24-22/h5-12H,13H2,1-4H3
InChIKeyFYHAMFYRLMKSMB-UHFFFAOYSA-N
MW390.51 g/mol
LogP5.97
Rot. Bonds4

About 3,4,6-trimethyl-N-(3-methyl-2-pyridinyl)-N-(thiophen-2-ylmethyl)-1-benzofuran-2-carboxamide

3,4,6-trimethyl-N-(3-methyl-2-pyridinyl)-N-(thiophen-2-ylmethyl)-1-benzofuran-2-carboxamide (PubChem CID 35344672) has the molecular formula C23H22N2O2S and a molecular weight of 390.51 g/mol. Its IUPAC name is 3,4,6-trimethyl-N-(3-methyl-2-pyridinyl)-N-(thiophen-2-ylmethyl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name3,4,6-trimethyl-N-(3-methyl-2-pyridinyl)-N-(thiophen-2-ylmethyl)-1-benzofuran-2-carboxamide
PubChem CID35344672
Molecular FormulaC23H22N2O2S
Molecular Weight390.51 g/mol
Exact Mass390.14
IUPAC Name3,4,6-trimethyl-N-(3-methyl-2-pyridinyl)-N-(thiophen-2-ylmethyl)-1-benzofuran-2-carboxamide
SMILESCc1cc(C)c2c(C)c(C(=O)N(Cc3cccs3)c3ncccc3C)oc2c1
InChIInChI=1S/C23H22N2O2S/c1-14-11-16(3)20-17(4)21(27-19(20)12-14)23(26)25(13-18-8-6-10-28-18)22-15(2)7-5-9-24-22/h5-12H,13H2,1-4H3
InChIKeyFYHAMFYRLMKSMB-UHFFFAOYSA-N
XLogP5.97
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.51
LogP ≤ 55.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3,4,6-trimethyl-N-(3-methyl-2-pyridinyl)-N-(thiophen-2-ylmethyl)-1-benzofuran-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

3,5,6-trimethyl-N-(3-methyl-2-pyridinyl)-N-(thiophen-2-ylmethyl)-1-benzofuran-2-carboxamide
CID 35572978
N-(3-chlorophenyl)-3,4,6-trimethyl-N-(thiophen-2-ylmethyl)-1-benzofuran-2-carboxamide
CID 35344621
N-[(3,4-dimethoxyphenyl)methyl]-3,4,6-trimethyl-N-pyridin-2-yl-1-benzofuran-2-carboxamide
CID 35573519
3-(3-chlorophenyl)-1-(3-methyl-2-pyridinyl)-1-(thiophen-2-ylmethyl)urea
CID 17013664
1-(3,4-dimethoxyphenyl)-2-[(3-methyl-2-pyridinyl)-(thiophen-2-ylmethyl)amino]ethanone
CID 110829984
4-fluoro-N-(4-methylphenyl)-N-(thiophen-2-ylmethyl)benzamide
CID 17012063
2-(3,5-dimethylphenoxy)-N-pyridin-2-yl-N-(thiophen-2-ylmethyl)acetamide
CID 17012481
N-ethyl-2-fluoro-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide
CID 107358620
1-(4-methyl-2-pyridinyl)-2-thiophen-2-ylethanone
CID 63840069
N,N-diethyl-4-[2-[(3-methyl-2-pyridinyl)-(thiophen-2-ylmethyl)amino]acetyl]benzenesulfonamide
CID 110827923
3-methyl-N-(3-methylbenzoyl)-N-(3-methyl-2-pyridinyl)benzamide
CID 755239
2-amino-N-(4-methylphenyl)-N-(thiophen-2-ylmethyl)acetamide
CID 39360719

Frequently Asked Questions

What is the IUPAC name of 3,4,6-trimethyl-N-(3-methyl-2-pyridinyl)-N-(thiophen-2-ylmethyl)-1-benzofuran-2-carboxamide?
The IUPAC name of 3,4,6-trimethyl-N-(3-methyl-2-pyridinyl)-N-(thiophen-2-ylmethyl)-1-benzofuran-2-carboxamide (CID 35344672) is 3,4,6-trimethyl-N-(3-methyl-2-pyridinyl)-N-(thiophen-2-ylmethyl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for 3,4,6-trimethyl-N-(3-methyl-2-pyridinyl)-N-(thiophen-2-ylmethyl)-1-benzofuran-2-carboxamide?
The canonical SMILES for 3,4,6-trimethyl-N-(3-methyl-2-pyridinyl)-N-(thiophen-2-ylmethyl)-1-benzofuran-2-carboxamide is Cc1cc(C)c2c(C)c(C(=O)N(Cc3cccs3)c3ncccc3C)oc2c1.
What is the InChIKey of 3,4,6-trimethyl-N-(3-methyl-2-pyridinyl)-N-(thiophen-2-ylmethyl)-1-benzofuran-2-carboxamide?
The InChIKey is FYHAMFYRLMKSMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O2S/c1-14-11-16(3)20-17(4)21(27-19(20)12-14)23(26)25(13-18-8-6-10-28-18)22-15(2)7-5-9-24-22/h5-12H,13H2,1-4H3.
What are the key properties of 3,4,6-trimethyl-N-(3-methyl-2-pyridinyl)-N-(thiophen-2-ylmethyl)-1-benzofuran-2-carboxamide?
3,4,6-trimethyl-N-(3-methyl-2-pyridinyl)-N-(thiophen-2-ylmethyl)-1-benzofuran-2-carboxamide has a molecular weight of 390.51 g/mol, XLogP of 5.97, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,6-trimethyl-N-(3-methyl-2-pyridinyl)-N-(thiophen-2-ylmethyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 35344672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).