N-benzo[e][1,3]benzothiazol-2-yl-3-ethylsulfanylbenzamide

C20H16N2OS2 — CID 41028546

IUPACN-benzo[e][1,3]benzothiazol-2-yl-3-ethylsulfanylbenzamide
SMILESCCSc1cccc(C(=O)Nc2nc3c(ccc4ccccc43)s2)c1
InChIInChI=1S/C20H16N2OS2/c1-2-24-15-8-5-7-14(12-15)19(23)22-20-21-18-16-9-4-3-6-13(16)10-11-17(18)25-20/h3-12H,2H2,1H3,(H,21,22,23)
InChIKeyNKZICIPUDRUVAN-UHFFFAOYSA-N
MW364.50 g/mol
LogP5.81
Rot. Bonds4

About N-benzo[e][1,3]benzothiazol-2-yl-3-ethylsulfanylbenzamide

N-benzo[e][1,3]benzothiazol-2-yl-3-ethylsulfanylbenzamide (PubChem CID 41028546) has the molecular formula C20H16N2OS2 and a molecular weight of 364.50 g/mol. Its IUPAC name is N-benzo[e][1,3]benzothiazol-2-yl-3-ethylsulfanylbenzamide.

Molecular Properties

Compound NameN-benzo[e][1,3]benzothiazol-2-yl-3-ethylsulfanylbenzamide
PubChem CID41028546
Molecular FormulaC20H16N2OS2
Molecular Weight364.50 g/mol
Exact Mass364.07
IUPAC NameN-benzo[e][1,3]benzothiazol-2-yl-3-ethylsulfanylbenzamide
SMILESCCSc1cccc(C(=O)Nc2nc3c(ccc4ccccc43)s2)c1
InChIInChI=1S/C20H16N2OS2/c1-2-24-15-8-5-7-14(12-15)19(23)22-20-21-18-16-9-4-3-6-13(16)10-11-17(18)25-20/h3-12H,2H2,1H3,(H,21,22,23)
InChIKeyNKZICIPUDRUVAN-UHFFFAOYSA-N
XLogP5.81
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.50
LogP ≤ 55.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzo[e][1,3]benzothiazol-2-ylbenzamide
CID 2120985
N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)-3-ethylsulfanylbenzamide
CID 43980889
N-benzo[e][1,3]benzothiazol-2-yl-3,5-dimethoxybenzamide
CID 5244881
4-ethylsulfanyl-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide
CID 7579181
3-ethylsulfanyl-N-(5-nitro-1,3-benzothiazol-2-yl)benzamide
CID 16850549
3-ethylsulfanyl-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)benzamide
CID 41028556
N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-3-ethylsulfanylbenzamide
CID 7578937
3-ethylsulfanyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide
CID 7578763
N-(4-ethyl-1,3-benzothiazol-2-yl)-3-propan-2-ylsulfanylbenzamide
CID 41147133
N-[4-(5-bromothiophen-2-yl)-1,3-thiazol-2-yl]-3-ethylsulfanylbenzamide
CID 41028551
N-(4-methyl-1,3-benzothiazol-2-yl)-3-methylsulfanylbenzamide
CID 7266872
N-benzo[e][1,3]benzothiazol-2-yl-4-(methylsulfonylmethyl)benzamide
CID 8781134

Frequently Asked Questions

What is the IUPAC name of N-benzo[e][1,3]benzothiazol-2-yl-3-ethylsulfanylbenzamide?
The IUPAC name of N-benzo[e][1,3]benzothiazol-2-yl-3-ethylsulfanylbenzamide (CID 41028546) is N-benzo[e][1,3]benzothiazol-2-yl-3-ethylsulfanylbenzamide.
What is the SMILES notation for N-benzo[e][1,3]benzothiazol-2-yl-3-ethylsulfanylbenzamide?
The canonical SMILES for N-benzo[e][1,3]benzothiazol-2-yl-3-ethylsulfanylbenzamide is CCSc1cccc(C(=O)Nc2nc3c(ccc4ccccc43)s2)c1.
What is the InChIKey of N-benzo[e][1,3]benzothiazol-2-yl-3-ethylsulfanylbenzamide?
The InChIKey is NKZICIPUDRUVAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2OS2/c1-2-24-15-8-5-7-14(12-15)19(23)22-20-21-18-16-9-4-3-6-13(16)10-11-17(18)25-20/h3-12H,2H2,1H3,(H,21,22,23).
What are the key properties of N-benzo[e][1,3]benzothiazol-2-yl-3-ethylsulfanylbenzamide?
N-benzo[e][1,3]benzothiazol-2-yl-3-ethylsulfanylbenzamide has a molecular weight of 364.50 g/mol, XLogP of 5.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzo[e][1,3]benzothiazol-2-yl-3-ethylsulfanylbenzamide is sourced from PubChem (CID 41028546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).