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

C19H20N2O2S — CID 7615805

IUPACN-benzyl-N-(6-methoxy-1,3-benzothiazol-2-yl)butanamide
SMILESCCCC(=O)N(Cc1ccccc1)c1nc2ccc(OC)cc2s1
InChIInChI=1S/C19H20N2O2S/c1-3-7-18(22)21(13-14-8-5-4-6-9-14)19-20-16-11-10-15(23-2)12-17(16)24-19/h4-6,8-12H,3,7,13H2,1-2H3
InChIKeyDDLRNQVRRDGQFV-UHFFFAOYSA-N
MW340.45 g/mol
LogP4.64
Rot. Bonds6

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

N-benzyl-N-(6-methoxy-1,3-benzothiazol-2-yl)butanamide (PubChem CID 7615805) has the molecular formula C19H20N2O2S and a molecular weight of 340.45 g/mol. Its IUPAC name is N-benzyl-N-(6-methoxy-1,3-benzothiazol-2-yl)butanamide.

Molecular Properties

Compound NameN-benzyl-N-(6-methoxy-1,3-benzothiazol-2-yl)butanamide
PubChem CID7615805
Molecular FormulaC19H20N2O2S
Molecular Weight340.45 g/mol
Exact Mass340.12
IUPAC NameN-benzyl-N-(6-methoxy-1,3-benzothiazol-2-yl)butanamide
SMILESCCCC(=O)N(Cc1ccccc1)c1nc2ccc(OC)cc2s1
InChIInChI=1S/C19H20N2O2S/c1-3-7-18(22)21(13-14-8-5-4-6-9-14)19-20-16-11-10-15(23-2)12-17(16)24-19/h4-6,8-12H,3,7,13H2,1-2H3
InChIKeyDDLRNQVRRDGQFV-UHFFFAOYSA-N
XLogP4.64
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-N-(6-methoxy-1,3-benzothiazol-2-yl)propanamide
CID 52893645
N-benzyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)butanamide
CID 7615810
N-benzyl-4-(4-ethoxyphenoxy)-N-(6-methoxy-1,3-benzothiazol-2-yl)butanamide
CID 2449845
3-(benzenesulfonyl)-N-benzyl-N-(6-methoxy-1,3-benzothiazol-2-yl)propanamide
CID 18581957
4-(benzenesulfonyl)-N-benzyl-N-(6-methoxy-1,3-benzothiazol-2-yl)butanamide
CID 41273295
N-benzyl-3-ethoxy-N-(6-ethoxy-1,3-benzothiazol-2-yl)propanamide
CID 56501884
N-benzyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)pent-4-enamide
CID 52866242
N-(6-methoxy-1,3-benzothiazol-2-yl)-N-(pyridin-4-ylmethyl)benzamide
CID 18587392
N-benzyl-N-(6-methoxy-1,3-benzothiazol-2-yl)thiophene-2-carboxamide
CID 7615801
N-benzyl-2-(4-fluorophenyl)sulfonyl-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide
CID 18581958
N-benzyl-3-chloro-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 41110197
3-(benzenesulfonyl)-N-benzyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)propanamide
CID 41110325

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(6-methoxy-1,3-benzothiazol-2-yl)butanamide?
The IUPAC name of N-benzyl-N-(6-methoxy-1,3-benzothiazol-2-yl)butanamide (CID 7615805) is N-benzyl-N-(6-methoxy-1,3-benzothiazol-2-yl)butanamide.
What is the SMILES notation for N-benzyl-N-(6-methoxy-1,3-benzothiazol-2-yl)butanamide?
The canonical SMILES for N-benzyl-N-(6-methoxy-1,3-benzothiazol-2-yl)butanamide is CCCC(=O)N(Cc1ccccc1)c1nc2ccc(OC)cc2s1.
What is the InChIKey of N-benzyl-N-(6-methoxy-1,3-benzothiazol-2-yl)butanamide?
The InChIKey is DDLRNQVRRDGQFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2S/c1-3-7-18(22)21(13-14-8-5-4-6-9-14)19-20-16-11-10-15(23-2)12-17(16)24-19/h4-6,8-12H,3,7,13H2,1-2H3.
What are the key properties of N-benzyl-N-(6-methoxy-1,3-benzothiazol-2-yl)butanamide?
N-benzyl-N-(6-methoxy-1,3-benzothiazol-2-yl)butanamide has a molecular weight of 340.45 g/mol, XLogP of 4.64, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(6-methoxy-1,3-benzothiazol-2-yl)butanamide is sourced from PubChem (CID 7615805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).