N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)-2-naphthalen-2-ylacetamide

C23H18N2OS — CID 16849301

IUPACN-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)-2-naphthalen-2-ylacetamide
SMILESO=C(Cc1ccc2ccccc2c1)Nc1nc2c(s1)CCc1ccccc1-2
InChIInChI=1S/C23H18N2OS/c26-21(14-15-9-10-16-5-1-2-7-18(16)13-15)24-23-25-22-19-8-4-3-6-17(19)11-12-20(22)27-23/h1-10,13H,11-12,14H2,(H,24,25,26)
InChIKeyIGQKBXLVZWLDNQ-UHFFFAOYSA-N
MW370.48 g/mol
LogP5.24
Rot. Bonds3

About N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)-2-naphthalen-2-ylacetamide

N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)-2-naphthalen-2-ylacetamide (PubChem CID 16849301) has the molecular formula C23H18N2OS and a molecular weight of 370.48 g/mol. Its IUPAC name is N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)-2-naphthalen-2-ylacetamide.

Molecular Properties

Compound NameN-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)-2-naphthalen-2-ylacetamide
PubChem CID16849301
Molecular FormulaC23H18N2OS
Molecular Weight370.48 g/mol
Exact Mass370.11
IUPAC NameN-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)-2-naphthalen-2-ylacetamide
SMILESO=C(Cc1ccc2ccccc2c1)Nc1nc2c(s1)CCc1ccccc1-2
InChIInChI=1S/C23H18N2OS/c26-21(14-15-9-10-16-5-1-2-7-18(16)13-15)24-23-25-22-19-8-4-3-6-17(19)11-12-20(22)27-23/h1-10,13H,11-12,14H2,(H,24,25,26)
InChIKeyIGQKBXLVZWLDNQ-UHFFFAOYSA-N
XLogP5.24
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.48
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(4,5-dihydrobenzo[e][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

Frequently Asked Questions

What is the IUPAC name of N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)-2-naphthalen-2-ylacetamide?
The IUPAC name of N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)-2-naphthalen-2-ylacetamide (CID 16849301) is N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)-2-naphthalen-2-ylacetamide.
What is the SMILES notation for N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)-2-naphthalen-2-ylacetamide?
The canonical SMILES for N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)-2-naphthalen-2-ylacetamide is O=C(Cc1ccc2ccccc2c1)Nc1nc2c(s1)CCc1ccccc1-2.
What is the InChIKey of N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)-2-naphthalen-2-ylacetamide?
The InChIKey is IGQKBXLVZWLDNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N2OS/c26-21(14-15-9-10-16-5-1-2-7-18(16)13-15)24-23-25-22-19-8-4-3-6-17(19)11-12-20(22)27-23/h1-10,13H,11-12,14H2,(H,24,25,26).
What are the key properties of N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)-2-naphthalen-2-ylacetamide?
N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)-2-naphthalen-2-ylacetamide has a molecular weight of 370.48 g/mol, XLogP of 5.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)-2-naphthalen-2-ylacetamide is sourced from PubChem (CID 16849301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).