N-methoxy-2-[4-[(6-methoxy-1,3-benzothiazol-2-yl)oxy]phenyl]propanamide

C18H18N2O4S — CID 126644718

IUPACN-methoxy-2-[4-[(6-methoxy-1,3-benzothiazol-2-yl)oxy]phenyl]propanamide
SMILESCONC(=O)C(C)c1ccc(Oc2nc3ccc(OC)cc3s2)cc1
InChIInChI=1S/C18H18N2O4S/c1-11(17(21)20-23-3)12-4-6-13(7-5-12)24-18-19-15-9-8-14(22-2)10-16(15)25-18/h4-11H,1-3H3,(H,20,21)
InChIKeyQBGFNLWWNMMDRO-UHFFFAOYSA-N
MW358.42 g/mol
LogP3.88
Rot. Bonds6

About N-methoxy-2-[4-[(6-methoxy-1,3-benzothiazol-2-yl)oxy]phenyl]propanamide

N-methoxy-2-[4-[(6-methoxy-1,3-benzothiazol-2-yl)oxy]phenyl]propanamide (PubChem CID 126644718) has the molecular formula C18H18N2O4S and a molecular weight of 358.42 g/mol. Its IUPAC name is N-methoxy-2-[4-[(6-methoxy-1,3-benzothiazol-2-yl)oxy]phenyl]propanamide.

Molecular Properties

Compound NameN-methoxy-2-[4-[(6-methoxy-1,3-benzothiazol-2-yl)oxy]phenyl]propanamide
PubChem CID126644718
Molecular FormulaC18H18N2O4S
Molecular Weight358.42 g/mol
Exact Mass358.10
IUPAC NameN-methoxy-2-[4-[(6-methoxy-1,3-benzothiazol-2-yl)oxy]phenyl]propanamide
SMILESCONC(=O)C(C)c1ccc(Oc2nc3ccc(OC)cc3s2)cc1
InChIInChI=1S/C18H18N2O4S/c1-11(17(21)20-23-3)12-4-6-13(7-5-12)24-18-19-15-9-8-14(22-2)10-16(15)25-18/h4-11H,1-3H3,(H,20,21)
InChIKeyQBGFNLWWNMMDRO-UHFFFAOYSA-N
XLogP3.88
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-[4-[(6-chloro-1,3-benzothiazol-2-yl)oxy]phenoxy]-N-methoxypropanamide
CID 160971171
2-[4-[(6-chloro-1,3-benzothiazol-2-yl)oxy]phenyl]propanoic acid
CID 126644816
2-(4-methoxyphenoxy)-1,3-benzothiazol-6-amine
CID 55176124
2-[4-[(6-fluoro-1,3-benzothiazol-2-yl)oxy]phenyl]-1-(4-methylpiperazin-1-yl)propan-1-one
CID 135312387
N-(6-methoxy-1,3-benzothiazol-2-yl)-2-sulfanylpropanamide
CID 107020679
3-amino-N-(6-methoxy-1,3-benzothiazol-2-yl)butanamide
CID 54924268
6-methoxy-1,3-benzothiazole-2-carboxamide
CID 539282
(2R)-N-methoxy-2-phenylpropanamide
CID 131067254
(6-methoxy-1,3-benzothiazol-2-yl)oxy-methylphosphinic acid
CID 175512314
4-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-2,3-dimethyl-4-oxobutanoic acid
CID 103496132
(2S)-2-amino-N-(6-methoxy-1,3-benzothiazol-2-yl)-3-methylpentanamide
CID 61173509
(3S)-N-(6-methoxy-1,3-benzothiazol-2-yl)-3-phenylbutanamide
CID 1122597

Frequently Asked Questions

What is the IUPAC name of N-methoxy-2-[4-[(6-methoxy-1,3-benzothiazol-2-yl)oxy]phenyl]propanamide?
The IUPAC name of N-methoxy-2-[4-[(6-methoxy-1,3-benzothiazol-2-yl)oxy]phenyl]propanamide (CID 126644718) is N-methoxy-2-[4-[(6-methoxy-1,3-benzothiazol-2-yl)oxy]phenyl]propanamide.
What is the SMILES notation for N-methoxy-2-[4-[(6-methoxy-1,3-benzothiazol-2-yl)oxy]phenyl]propanamide?
The canonical SMILES for N-methoxy-2-[4-[(6-methoxy-1,3-benzothiazol-2-yl)oxy]phenyl]propanamide is CONC(=O)C(C)c1ccc(Oc2nc3ccc(OC)cc3s2)cc1.
What is the InChIKey of N-methoxy-2-[4-[(6-methoxy-1,3-benzothiazol-2-yl)oxy]phenyl]propanamide?
The InChIKey is QBGFNLWWNMMDRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O4S/c1-11(17(21)20-23-3)12-4-6-13(7-5-12)24-18-19-15-9-8-14(22-2)10-16(15)25-18/h4-11H,1-3H3,(H,20,21).
What are the key properties of N-methoxy-2-[4-[(6-methoxy-1,3-benzothiazol-2-yl)oxy]phenyl]propanamide?
N-methoxy-2-[4-[(6-methoxy-1,3-benzothiazol-2-yl)oxy]phenyl]propanamide has a molecular weight of 358.42 g/mol, XLogP of 3.88, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-2-[4-[(6-methoxy-1,3-benzothiazol-2-yl)oxy]phenyl]propanamide is sourced from PubChem (CID 126644718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).