3-methyl-N-[4-(5-methyl-2-phenyl-1,3-thiazol-4-yl)phenyl]-1-benzofuran-2-carboxamide

C26H20N2O2S — CID 108811485

IUPAC3-methyl-N-[4-(5-methyl-2-phenyl-1,3-thiazol-4-yl)phenyl]-1-benzofuran-2-carboxamide
SMILESCc1sc(-c2ccccc2)nc1-c1ccc(NC(=O)c2oc3ccccc3c2C)cc1
InChIInChI=1S/C26H20N2O2S/c1-16-21-10-6-7-11-22(21)30-24(16)25(29)27-20-14-12-18(13-15-20)23-17(2)31-26(28-23)19-8-4-3-5-9-19/h3-15H,1-2H3,(H,27,29)
InChIKeyNQHRPYCVXNUVBU-UHFFFAOYSA-N
MW424.53 g/mol
LogP7.09
Rot. Bonds4

About 3-methyl-N-[4-(5-methyl-2-phenyl-1,3-thiazol-4-yl)phenyl]-1-benzofuran-2-carboxamide

3-methyl-N-[4-(5-methyl-2-phenyl-1,3-thiazol-4-yl)phenyl]-1-benzofuran-2-carboxamide (PubChem CID 108811485) has the molecular formula C26H20N2O2S and a molecular weight of 424.53 g/mol. Its IUPAC name is 3-methyl-N-[4-(5-methyl-2-phenyl-1,3-thiazol-4-yl)phenyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[4-(5-methyl-2-phenyl-1,3-thiazol-4-yl)phenyl]-1-benzofuran-2-carboxamide
PubChem CID108811485
Molecular FormulaC26H20N2O2S
Molecular Weight424.53 g/mol
Exact Mass424.12
IUPAC Name3-methyl-N-[4-(5-methyl-2-phenyl-1,3-thiazol-4-yl)phenyl]-1-benzofuran-2-carboxamide
SMILESCc1sc(-c2ccccc2)nc1-c1ccc(NC(=O)c2oc3ccccc3c2C)cc1
InChIInChI=1S/C26H20N2O2S/c1-16-21-10-6-7-11-22(21)30-24(16)25(29)27-20-14-12-18(13-15-20)23-17(2)31-26(28-23)19-8-4-3-5-9-19/h3-15H,1-2H3,(H,27,29)
InChIKeyNQHRPYCVXNUVBU-UHFFFAOYSA-N
XLogP7.09
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.53
LogP ≤ 57.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-N-[4-(5-methyl-2-phenyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 108769922
2-[4-[(3-methyl-1-benzofuran-2-carbonyl)amino]phenyl]acetic acid
CID 108793560
3,4-dimethyl-N-[4-(5-methyl-2-phenyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 108747881
N-[[4-(1,3-benzothiazol-2-yl)phenyl]carbamothioyl]-3-methyl-1-benzofuran-2-carboxamide
CID 2902673
3-methyl-N-pyridin-4-yl-1-benzofuran-2-carboxamide
CID 648777
4-(dimethylamino)-N-[4-(5-methyl-2-phenyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 108747886
2,2,2-trifluoro-N-[4-(5-methyl-2-phenyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 108769917
5-ethyl-3-methyl-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide
CID 19241218
(E)-N-[4-(5-methyl-2-phenyl-1,3-thiazol-4-yl)phenyl]-3-(4-oxochromen-3-yl)prop-2-enamide
CID 108747949
3-methyl-N-[4-(5-methyl-2-phenyl-1,3-thiazol-4-yl)phenyl]butanamide
CID 108769928
N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-3-methyl-1-benzofuran-2-carboxamide
CID 7940721
3-chloro-2,2-dimethyl-N-[4-(5-methyl-2-phenyl-1,3-thiazol-4-yl)phenyl]propanamide
CID 108769918

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[4-(5-methyl-2-phenyl-1,3-thiazol-4-yl)phenyl]-1-benzofuran-2-carboxamide?
The IUPAC name of 3-methyl-N-[4-(5-methyl-2-phenyl-1,3-thiazol-4-yl)phenyl]-1-benzofuran-2-carboxamide (CID 108811485) is 3-methyl-N-[4-(5-methyl-2-phenyl-1,3-thiazol-4-yl)phenyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for 3-methyl-N-[4-(5-methyl-2-phenyl-1,3-thiazol-4-yl)phenyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for 3-methyl-N-[4-(5-methyl-2-phenyl-1,3-thiazol-4-yl)phenyl]-1-benzofuran-2-carboxamide is Cc1sc(-c2ccccc2)nc1-c1ccc(NC(=O)c2oc3ccccc3c2C)cc1.
What is the InChIKey of 3-methyl-N-[4-(5-methyl-2-phenyl-1,3-thiazol-4-yl)phenyl]-1-benzofuran-2-carboxamide?
The InChIKey is NQHRPYCVXNUVBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N2O2S/c1-16-21-10-6-7-11-22(21)30-24(16)25(29)27-20-14-12-18(13-15-20)23-17(2)31-26(28-23)19-8-4-3-5-9-19/h3-15H,1-2H3,(H,27,29).
What are the key properties of 3-methyl-N-[4-(5-methyl-2-phenyl-1,3-thiazol-4-yl)phenyl]-1-benzofuran-2-carboxamide?
3-methyl-N-[4-(5-methyl-2-phenyl-1,3-thiazol-4-yl)phenyl]-1-benzofuran-2-carboxamide has a molecular weight of 424.53 g/mol, XLogP of 7.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[4-(5-methyl-2-phenyl-1,3-thiazol-4-yl)phenyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 108811485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).