N-[3-(1,3-benzothiazol-2-yl)phenyl]-2-naphthalen-2-ylacetamide

C25H18N2OS — CID 16849367

IUPACN-[3-(1,3-benzothiazol-2-yl)phenyl]-2-naphthalen-2-ylacetamide
SMILESO=C(Cc1ccc2ccccc2c1)Nc1cccc(-c2nc3ccccc3s2)c1
InChIInChI=1S/C25H18N2OS/c28-24(15-17-12-13-18-6-1-2-7-19(18)14-17)26-21-9-5-8-20(16-21)25-27-22-10-3-4-11-23(22)29-25/h1-14,16H,15H2,(H,26,28)
InChIKeyZIWCMSVQZLRBDA-UHFFFAOYSA-N
MW394.50 g/mol
LogP6.30
Rot. Bonds4

About N-[3-(1,3-benzothiazol-2-yl)phenyl]-2-naphthalen-2-ylacetamide

N-[3-(1,3-benzothiazol-2-yl)phenyl]-2-naphthalen-2-ylacetamide (PubChem CID 16849367) has the molecular formula C25H18N2OS and a molecular weight of 394.50 g/mol. Its IUPAC name is N-[3-(1,3-benzothiazol-2-yl)phenyl]-2-naphthalen-2-ylacetamide.

Molecular Properties

Compound NameN-[3-(1,3-benzothiazol-2-yl)phenyl]-2-naphthalen-2-ylacetamide
PubChem CID16849367
Molecular FormulaC25H18N2OS
Molecular Weight394.50 g/mol
Exact Mass394.11
IUPAC NameN-[3-(1,3-benzothiazol-2-yl)phenyl]-2-naphthalen-2-ylacetamide
SMILESO=C(Cc1ccc2ccccc2c1)Nc1cccc(-c2nc3ccccc3s2)c1
InChIInChI=1S/C25H18N2OS/c28-24(15-17-12-13-18-6-1-2-7-19(18)14-17)26-21-9-5-8-20(16-21)25-27-22-10-3-4-11-23(22)29-25/h1-14,16H,15H2,(H,26,28)
InChIKeyZIWCMSVQZLRBDA-UHFFFAOYSA-N
XLogP6.30
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.50
LogP ≤ 56.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(1,3-benzothiazol-2-yl)phenyl]-2-(4-hydroxyphenyl)acetamide
CID 78837215
N-[3-(1,3-benzothiazol-2-yl)phenyl]-2-(3-methoxyphenyl)acetamide
CID 16911452
S-[2-[3-(1,3-benzothiazol-2-yl)anilino]-2-oxoethyl] ethanethioate
CID 16949140
N-[3-(1,3-benzothiazol-2-yl)phenyl]-2-(4-methylphenyl)sulfanylacetamide
CID 3454814
N-[3-(1,3-benzothiazol-2-yl)phenyl]-2-(4-fluorophenyl)sulfanylacetamide
CID 8610050
N-[3-(1,3-benzothiazol-2-yl)phenyl]-2-(2-oxoazepan-1-yl)acetamide
CID 34289832
N-[3-(1,3-benzothiazol-2-yl)phenyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide
CID 40723014
N-[3-(1,3-benzothiazol-2-yl)phenyl]-3-[[benzyl(methyl)carbamoyl]amino]propanamide
CID 56581863
4-(benzenesulfonyl)-N-[3-(1,3-benzothiazol-2-yl)phenyl]butanamide
CID 18585740
N-[3-(1,3-benzothiazol-2-yl)phenyl]-2,3,4,5,6-pentafluorobenzamide
CID 5067994
1-[3-(1,3-benzothiazol-2-yl)phenyl]-3-(4-ethoxyphenyl)urea
CID 7120930
tert-butyl N-[2-[3-(1,3-benzothiazol-2-yl)anilino]-2-oxoethyl]-N-methylcarbamate
CID 56520607

Frequently Asked Questions

What is the IUPAC name of N-[3-(1,3-benzothiazol-2-yl)phenyl]-2-naphthalen-2-ylacetamide?
The IUPAC name of N-[3-(1,3-benzothiazol-2-yl)phenyl]-2-naphthalen-2-ylacetamide (CID 16849367) is N-[3-(1,3-benzothiazol-2-yl)phenyl]-2-naphthalen-2-ylacetamide.
What is the SMILES notation for N-[3-(1,3-benzothiazol-2-yl)phenyl]-2-naphthalen-2-ylacetamide?
The canonical SMILES for N-[3-(1,3-benzothiazol-2-yl)phenyl]-2-naphthalen-2-ylacetamide is O=C(Cc1ccc2ccccc2c1)Nc1cccc(-c2nc3ccccc3s2)c1.
What is the InChIKey of N-[3-(1,3-benzothiazol-2-yl)phenyl]-2-naphthalen-2-ylacetamide?
The InChIKey is ZIWCMSVQZLRBDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18N2OS/c28-24(15-17-12-13-18-6-1-2-7-19(18)14-17)26-21-9-5-8-20(16-21)25-27-22-10-3-4-11-23(22)29-25/h1-14,16H,15H2,(H,26,28).
What are the key properties of N-[3-(1,3-benzothiazol-2-yl)phenyl]-2-naphthalen-2-ylacetamide?
N-[3-(1,3-benzothiazol-2-yl)phenyl]-2-naphthalen-2-ylacetamide has a molecular weight of 394.50 g/mol, XLogP of 6.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1,3-benzothiazol-2-yl)phenyl]-2-naphthalen-2-ylacetamide is sourced from PubChem (CID 16849367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).