N-benzyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)butanamide

C20H22N2O2S — CID 7615810

IUPACN-benzyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)butanamide
SMILESCCCC(=O)N(Cc1ccccc1)c1nc2ccc(OCC)cc2s1
InChIInChI=1S/C20H22N2O2S/c1-3-8-19(23)22(14-15-9-6-5-7-10-15)20-21-17-12-11-16(24-4-2)13-18(17)25-20/h5-7,9-13H,3-4,8,14H2,1-2H3
InChIKeyWBCVGKINOIWCPX-UHFFFAOYSA-N
MW354.48 g/mol
LogP5.03
Rot. Bonds7

About N-benzyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)butanamide

N-benzyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)butanamide (PubChem CID 7615810) has the molecular formula C20H22N2O2S and a molecular weight of 354.48 g/mol. Its IUPAC name is N-benzyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)butanamide.

Molecular Properties

Compound NameN-benzyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)butanamide
PubChem CID7615810
Molecular FormulaC20H22N2O2S
Molecular Weight354.48 g/mol
Exact Mass354.14
IUPAC NameN-benzyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)butanamide
SMILESCCCC(=O)N(Cc1ccccc1)c1nc2ccc(OCC)cc2s1
InChIInChI=1S/C20H22N2O2S/c1-3-8-19(23)22(14-15-9-6-5-7-10-15)20-21-17-12-11-16(24-4-2)13-18(17)25-20/h5-7,9-13H,3-4,8,14H2,1-2H3
InChIKeyWBCVGKINOIWCPX-UHFFFAOYSA-N
XLogP5.03
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 ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-benzyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)butanamide 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-benzyl-3-ethoxy-N-(6-ethoxy-1,3-benzothiazol-2-yl)propanamide
CID 56501884
N-benzyl-N-(6-methoxy-1,3-benzothiazol-2-yl)butanamide
CID 7615805
N-benzyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)pent-4-enamide
CID 52866242
3-(benzenesulfonyl)-N-benzyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)propanamide
CID 41110325
N-benzyl-4-(4-ethoxyphenoxy)-N-(6-methoxy-1,3-benzothiazol-2-yl)butanamide
CID 2449845
N-benzyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-(3-propyl-1,2,4-oxadiazol-5-yl)propanamide
CID 55531358
N-benzyl-3,4,5-triethoxy-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide
CID 41110314
N-benzyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-thiophen-2-ylacetamide
CID 41340207
N-benzyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-(4-methylphenyl)sulfanylacetamide
CID 41110331
N-benzyl-N-(6-methoxy-1,3-benzothiazol-2-yl)propanamide
CID 52893645
N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-phenoxy-N-(pyridin-3-ylmethyl)acetamide
CID 40508156
N-benzyl-3-chloro-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide
CID 41110274

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)butanamide?
The IUPAC name of N-benzyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)butanamide (CID 7615810) is N-benzyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)butanamide.
What is the SMILES notation for N-benzyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)butanamide?
The canonical SMILES for N-benzyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)butanamide is CCCC(=O)N(Cc1ccccc1)c1nc2ccc(OCC)cc2s1.
What is the InChIKey of N-benzyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)butanamide?
The InChIKey is WBCVGKINOIWCPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2S/c1-3-8-19(23)22(14-15-9-6-5-7-10-15)20-21-17-12-11-16(24-4-2)13-18(17)25-20/h5-7,9-13H,3-4,8,14H2,1-2H3.
What are the key properties of N-benzyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)butanamide?
N-benzyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)butanamide has a molecular weight of 354.48 g/mol, XLogP of 5.03, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)butanamide is sourced from PubChem (CID 7615810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).