N-(furan-2-ylmethyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)-2-naphthalen-2-ylacetamide

C25H20N2O3S — CID 16849746

IUPACN-(furan-2-ylmethyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)-2-naphthalen-2-ylacetamide
SMILESCOc1ccc2nc(N(Cc3ccco3)C(=O)Cc3ccc4ccccc4c3)sc2c1
InChIInChI=1S/C25H20N2O3S/c1-29-20-10-11-22-23(15-20)31-25(26-22)27(16-21-7-4-12-30-21)24(28)14-17-8-9-18-5-2-3-6-19(18)13-17/h2-13,15H,14,16H2,1H3
InChIKeyRQKJMASRTSEFGN-UHFFFAOYSA-N
MW428.51 g/mol
LogP5.83
Rot. Bonds6

About N-(furan-2-ylmethyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)-2-naphthalen-2-ylacetamide

N-(furan-2-ylmethyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)-2-naphthalen-2-ylacetamide (PubChem CID 16849746) has the molecular formula C25H20N2O3S and a molecular weight of 428.51 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)-2-naphthalen-2-ylacetamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)-2-naphthalen-2-ylacetamide
PubChem CID16849746
Molecular FormulaC25H20N2O3S
Molecular Weight428.51 g/mol
Exact Mass428.12
IUPAC NameN-(furan-2-ylmethyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)-2-naphthalen-2-ylacetamide
SMILESCOc1ccc2nc(N(Cc3ccco3)C(=O)Cc3ccc4ccccc4c3)sc2c1
InChIInChI=1S/C25H20N2O3S/c1-29-20-10-11-22-23(15-20)31-25(26-22)27(16-21-7-4-12-30-21)24(28)14-17-8-9-18-5-2-3-6-19(18)13-17/h2-13,15H,14,16H2,1H3
InChIKeyRQKJMASRTSEFGN-UHFFFAOYSA-N
XLogP5.83
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.51
LogP ≤ 55.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-(furan-2-ylmethyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)-2-naphthalen-2-ylacetamide 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-(6-methoxy-1,3-benzothiazol-2-yl)-2-naphthalen-2-yl-N-(pyridin-3-ylmethyl)acetamide
CID 16849710
N-(furan-2-ylmethyl)-2-naphthalen-2-yl-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)acetamide
CID 16849781
N-(6-ethyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)naphthalene-2-carboxamide
CID 30707289
N-(6-ethoxy-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-3-(4-methoxyphenyl)sulfanylpropanamide
CID 30706870
N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-2-(4-propan-2-ylphenyl)acetamide
CID 41362982
N-(furan-2-ylmethyl)-2-(4-methoxyphenyl)-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)acetamide
CID 16939023
N-[2-(diethylamino)ethyl]-N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(4-methoxyphenyl)acetamide;hydrochloride
CID 44991283
N-benzyl-N-(6-methoxy-1,3-benzothiazol-2-yl)propanamide
CID 52893645
N-(6-ethoxy-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-4-phenylsulfanylbutanamide
CID 30706826
N-(6-ethoxy-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)thiophene-2-carboxamide
CID 30706405
3-bromo-N-(6-ethoxy-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)benzamide
CID 30706380
4-bromo-N-(6-ethoxy-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)benzamide
CID 30706375

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)-2-naphthalen-2-ylacetamide?
The IUPAC name of N-(furan-2-ylmethyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)-2-naphthalen-2-ylacetamide (CID 16849746) is N-(furan-2-ylmethyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)-2-naphthalen-2-ylacetamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)-2-naphthalen-2-ylacetamide?
The canonical SMILES for N-(furan-2-ylmethyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)-2-naphthalen-2-ylacetamide is COc1ccc2nc(N(Cc3ccco3)C(=O)Cc3ccc4ccccc4c3)sc2c1.
What is the InChIKey of N-(furan-2-ylmethyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)-2-naphthalen-2-ylacetamide?
The InChIKey is RQKJMASRTSEFGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N2O3S/c1-29-20-10-11-22-23(15-20)31-25(26-22)27(16-21-7-4-12-30-21)24(28)14-17-8-9-18-5-2-3-6-19(18)13-17/h2-13,15H,14,16H2,1H3.
What are the key properties of N-(furan-2-ylmethyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)-2-naphthalen-2-ylacetamide?
N-(furan-2-ylmethyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)-2-naphthalen-2-ylacetamide has a molecular weight of 428.51 g/mol, XLogP of 5.83, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)-2-naphthalen-2-ylacetamide is sourced from PubChem (CID 16849746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).