N-(1,3-benzothiazol-2-yl)-N-butyl-2-ethoxybenzamide

C20H22N2O2S — CID 8012636

IUPACN-(1,3-benzothiazol-2-yl)-N-butyl-2-ethoxybenzamide
SMILESCCCCN(C(=O)c1ccccc1OCC)c1nc2ccccc2s1
InChIInChI=1S/C20H22N2O2S/c1-3-5-14-22(20-21-16-11-7-9-13-18(16)25-20)19(23)15-10-6-8-12-17(15)24-4-2/h6-13H,3-5,14H2,1-2H3
InChIKeyNYOIQUCUFRLLKT-UHFFFAOYSA-N
MW354.48 g/mol
LogP5.14
Rot. Bonds7

About N-(1,3-benzothiazol-2-yl)-N-butyl-2-ethoxybenzamide

N-(1,3-benzothiazol-2-yl)-N-butyl-2-ethoxybenzamide (PubChem CID 8012636) has the molecular formula C20H22N2O2S and a molecular weight of 354.48 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-N-butyl-2-ethoxybenzamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-N-butyl-2-ethoxybenzamide
PubChem CID8012636
Molecular FormulaC20H22N2O2S
Molecular Weight354.48 g/mol
Exact Mass354.14
IUPAC NameN-(1,3-benzothiazol-2-yl)-N-butyl-2-ethoxybenzamide
SMILESCCCCN(C(=O)c1ccccc1OCC)c1nc2ccccc2s1
InChIInChI=1S/C20H22N2O2S/c1-3-5-14-22(20-21-16-11-7-9-13-18(16)25-20)19(23)15-10-6-8-12-17(15)24-4-2/h6-13H,3-5,14H2,1-2H3
InChIKeyNYOIQUCUFRLLKT-UHFFFAOYSA-N
XLogP5.14
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.48
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(dimethylamino)propyl]-N-(4-ethoxy-1,3-benzothiazol-2-yl)-2-methoxybenzamide;hydrochloride
CID 44930384
N-(1,3-benzothiazol-2-yl)-2-ethoxy-N-ethylpyridine-3-carboxamide
CID 18193231
N-[2-(dimethylamino)ethyl]-N-(4-ethoxy-1,3-benzothiazol-2-yl)-2-methoxybenzamide
CID 7508013
N-(1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]-2-ethoxynaphthalene-1-carboxamide
CID 43961254
N-(1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-4-pentoxybenzamide;hydrochloride
CID 44929513
N-[2-(dimethylamino)ethyl]-N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-phenoxybenzamide;hydrochloride
CID 44923124
N-[2-(dimethylamino)ethyl]-N-(4-ethoxy-1,3-benzothiazol-2-yl)-1,3-benzothiazole-2-carboxamide
CID 16808365
N-(1,3-benzothiazol-2-yl)-N-[2-(diethylamino)ethyl]-2-fluorobenzamide
CID 7294762
N-[2-(dimethylamino)ethyl]-N-(4-ethoxy-1,3-benzothiazol-2-yl)naphthalene-1-carboxamide
CID 7508018
N-(1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-3-pentoxybenzamide;hydrochloride
CID 44929511
N-(1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-1,3-benzothiazole-2-carboxamide;hydrochloride
CID 44929489
N-(6-bromo-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-2-methoxybenzamide
CID 18563990

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-N-butyl-2-ethoxybenzamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-N-butyl-2-ethoxybenzamide (CID 8012636) is N-(1,3-benzothiazol-2-yl)-N-butyl-2-ethoxybenzamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-N-butyl-2-ethoxybenzamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-N-butyl-2-ethoxybenzamide is CCCCN(C(=O)c1ccccc1OCC)c1nc2ccccc2s1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-N-butyl-2-ethoxybenzamide?
The InChIKey is NYOIQUCUFRLLKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2S/c1-3-5-14-22(20-21-16-11-7-9-13-18(16)25-20)19(23)15-10-6-8-12-17(15)24-4-2/h6-13H,3-5,14H2,1-2H3.
What are the key properties of N-(1,3-benzothiazol-2-yl)-N-butyl-2-ethoxybenzamide?
N-(1,3-benzothiazol-2-yl)-N-butyl-2-ethoxybenzamide has a molecular weight of 354.48 g/mol, XLogP of 5.14, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-yl)-N-butyl-2-ethoxybenzamide is sourced from PubChem (CID 8012636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).