N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-1-benzofuran-2-carboxamide

C23H18N2O3S — CID 8718598

IUPACN-(4,7-dimethyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-1-benzofuran-2-carboxamide
SMILESCc1ccc(C)c2sc(N(Cc3ccco3)C(=O)c3cc4ccccc4o3)nc12
InChIInChI=1S/C23H18N2O3S/c1-14-9-10-15(2)21-20(14)24-23(29-21)25(13-17-7-5-11-27-17)22(26)19-12-16-6-3-4-8-18(16)28-19/h3-12H,13H2,1-2H3
InChIKeyNOUIUKXFMQVTIF-UHFFFAOYSA-N
MW402.48 g/mol
LogP6.10
Rot. Bonds4

About N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-1-benzofuran-2-carboxamide

N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-1-benzofuran-2-carboxamide (PubChem CID 8718598) has the molecular formula C23H18N2O3S and a molecular weight of 402.48 g/mol. Its IUPAC name is N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(4,7-dimethyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-1-benzofuran-2-carboxamide
PubChem CID8718598
Molecular FormulaC23H18N2O3S
Molecular Weight402.48 g/mol
Exact Mass402.10
IUPAC NameN-(4,7-dimethyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-1-benzofuran-2-carboxamide
SMILESCc1ccc(C)c2sc(N(Cc3ccco3)C(=O)c3cc4ccccc4o3)nc12
InChIInChI=1S/C23H18N2O3S/c1-14-9-10-15(2)21-20(14)24-23(29-21)25(13-17-7-5-11-27-17)22(26)19-12-16-6-3-4-8-18(16)28-19/h3-12H,13H2,1-2H3
InChIKeyNOUIUKXFMQVTIF-UHFFFAOYSA-N
XLogP6.10
TPSA59.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.48
LogP ≤ 56.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(furan-2-ylmethyl)-N-(6-methyl-1,3-benzothiazol-2-yl)-1-benzofuran-2-carboxamide
CID 8718552
2-chloro-N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)benzamide
CID 30710060
N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)naphthalene-2-carboxamide
CID 30711551
2-(1,3-benzodioxol-5-yl)-N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)acetamide
CID 41108725
N-(furan-2-ylmethyl)-3-methoxy-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)naphthalene-2-carboxamide
CID 30711211
N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-2-(4-propan-2-ylsulfanylphenyl)acetamide
CID 16839098
N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-3-propan-2-ylsulfonylbenzamide
CID 30710535
N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-[2-(diethylamino)ethyl]-1-benzofuran-2-carboxamide;hydrochloride
CID 44916045
4-benzyl-N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)benzamide
CID 30711514
N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-2-(4-propan-2-ylsulfonylphenyl)acetamide
CID 16838510
N-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)thiophene-2-carboxamide
CID 30711431
N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-4-piperidin-1-ylsulfonylbenzamide
CID 30710129

Frequently Asked Questions

What is the IUPAC name of N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-1-benzofuran-2-carboxamide?
The IUPAC name of N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-1-benzofuran-2-carboxamide (CID 8718598) is N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-1-benzofuran-2-carboxamide?
The canonical SMILES for N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-1-benzofuran-2-carboxamide is Cc1ccc(C)c2sc(N(Cc3ccco3)C(=O)c3cc4ccccc4o3)nc12.
What is the InChIKey of N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-1-benzofuran-2-carboxamide?
The InChIKey is NOUIUKXFMQVTIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N2O3S/c1-14-9-10-15(2)21-20(14)24-23(29-21)25(13-17-7-5-11-27-17)22(26)19-12-16-6-3-4-8-18(16)28-19/h3-12H,13H2,1-2H3.
What are the key properties of N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-1-benzofuran-2-carboxamide?
N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-1-benzofuran-2-carboxamide has a molecular weight of 402.48 g/mol, XLogP of 6.10, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 8718598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).