3,5,6-trimethyl-N-(3-methyl-2-pyridinyl)-N-(thiophen-2-ylmethyl)-1-benzofuran-2-carboxamide

C23H22N2O2S — CID 35572978

IUPAC3,5,6-trimethyl-N-(3-methyl-2-pyridinyl)-N-(thiophen-2-ylmethyl)-1-benzofuran-2-carboxamide
SMILESCc1cc2oc(C(=O)N(Cc3cccs3)c3ncccc3C)c(C)c2cc1C
InChIInChI=1S/C23H22N2O2S/c1-14-7-5-9-24-22(14)25(13-18-8-6-10-28-18)23(26)21-17(4)19-11-15(2)16(3)12-20(19)27-21/h5-12H,13H2,1-4H3
InChIKeyQCXJBALYBYXLPG-UHFFFAOYSA-N
MW390.51 g/mol
LogP5.97
Rot. Bonds4

About 3,5,6-trimethyl-N-(3-methyl-2-pyridinyl)-N-(thiophen-2-ylmethyl)-1-benzofuran-2-carboxamide

3,5,6-trimethyl-N-(3-methyl-2-pyridinyl)-N-(thiophen-2-ylmethyl)-1-benzofuran-2-carboxamide (PubChem CID 35572978) has the molecular formula C23H22N2O2S and a molecular weight of 390.51 g/mol. Its IUPAC name is 3,5,6-trimethyl-N-(3-methyl-2-pyridinyl)-N-(thiophen-2-ylmethyl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name3,5,6-trimethyl-N-(3-methyl-2-pyridinyl)-N-(thiophen-2-ylmethyl)-1-benzofuran-2-carboxamide
PubChem CID35572978
Molecular FormulaC23H22N2O2S
Molecular Weight390.51 g/mol
Exact Mass390.14
IUPAC Name3,5,6-trimethyl-N-(3-methyl-2-pyridinyl)-N-(thiophen-2-ylmethyl)-1-benzofuran-2-carboxamide
SMILESCc1cc2oc(C(=O)N(Cc3cccs3)c3ncccc3C)c(C)c2cc1C
InChIInChI=1S/C23H22N2O2S/c1-14-7-5-9-24-22(14)25(13-18-8-6-10-28-18)23(26)21-17(4)19-11-15(2)16(3)12-20(19)27-21/h5-12H,13H2,1-4H3
InChIKeyQCXJBALYBYXLPG-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

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Related Compounds

3,4,6-trimethyl-N-(3-methyl-2-pyridinyl)-N-(thiophen-2-ylmethyl)-1-benzofuran-2-carboxamide
CID 35344672
N-benzyl-3,5,6-trimethyl-N-pyridin-2-yl-1-benzofuran-2-carboxamide
CID 18830949
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
N-(3-chlorophenyl)-3,4,6-trimethyl-N-(thiophen-2-ylmethyl)-1-benzofuran-2-carboxamide
CID 35344621
5-fluoro-3-methyl-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)-1-benzofuran-2-carboxamide
CID 55391194
N,N-diethyl-4-[2-[(3-methyl-2-pyridinyl)-(thiophen-2-ylmethyl)amino]acetyl]benzenesulfonamide
CID 110827923
1-(3-methyl-2-pyridinyl)-3-(thiophen-2-ylmethyl)urea
CID 47236047
3,5,6-trimethyl-N-[(2R)-2-morpholin-4-yl-2-thiophen-2-ylethyl]-1-benzofuran-2-carboxamide
CID 35573034
N-ethyl-2-fluoro-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide
CID 107358620
2-[(3-methyl-2-pyridinyl)-(thiophen-2-ylmethyl)amino]-1-(3-pyrrolidin-1-ylsulfonylphenyl)ethanone
CID 110829020
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylsulfanyl-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide
CID 39708992

Frequently Asked Questions

What is the IUPAC name of 3,5,6-trimethyl-N-(3-methyl-2-pyridinyl)-N-(thiophen-2-ylmethyl)-1-benzofuran-2-carboxamide?
The IUPAC name of 3,5,6-trimethyl-N-(3-methyl-2-pyridinyl)-N-(thiophen-2-ylmethyl)-1-benzofuran-2-carboxamide (CID 35572978) is 3,5,6-trimethyl-N-(3-methyl-2-pyridinyl)-N-(thiophen-2-ylmethyl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for 3,5,6-trimethyl-N-(3-methyl-2-pyridinyl)-N-(thiophen-2-ylmethyl)-1-benzofuran-2-carboxamide?
The canonical SMILES for 3,5,6-trimethyl-N-(3-methyl-2-pyridinyl)-N-(thiophen-2-ylmethyl)-1-benzofuran-2-carboxamide is Cc1cc2oc(C(=O)N(Cc3cccs3)c3ncccc3C)c(C)c2cc1C.
What is the InChIKey of 3,5,6-trimethyl-N-(3-methyl-2-pyridinyl)-N-(thiophen-2-ylmethyl)-1-benzofuran-2-carboxamide?
The InChIKey is QCXJBALYBYXLPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O2S/c1-14-7-5-9-24-22(14)25(13-18-8-6-10-28-18)23(26)21-17(4)19-11-15(2)16(3)12-20(19)27-21/h5-12H,13H2,1-4H3.
What are the key properties of 3,5,6-trimethyl-N-(3-methyl-2-pyridinyl)-N-(thiophen-2-ylmethyl)-1-benzofuran-2-carboxamide?
3,5,6-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 3,5,6-trimethyl-N-(3-methyl-2-pyridinyl)-N-(thiophen-2-ylmethyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 35572978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).