N-(6-methoxy-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)-2-(4-phenylphenyl)acetamide;hydrochloride

C29H32ClN3O3S — CID 121046619

IUPACN-(6-methoxy-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)-2-(4-phenylphenyl)acetamide;hydrochloride
SMILESCOc1ccc2nc(N(CCCN3CCOCC3)C(=O)Cc3ccc(-c4ccccc4)cc3)sc2c1.Cl
InChIInChI=1S/C29H31N3O3S.ClH/c1-34-25-12-13-26-27(21-25)36-29(30-26)32(15-5-14-31-16-18-35-19-17-31)28(33)20-22-8-10-24(11-9-22)23-6-3-2-4-7-23;/h2-4,6-13,21H,5,14-20H2,1H3;1H
InChIKeyFFZNBVISBFQRLF-UHFFFAOYSA-N
MW538.11 g/mol
LogP5.69
Rot. Bonds9

About N-(6-methoxy-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)-2-(4-phenylphenyl)acetamide;hydrochloride

N-(6-methoxy-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)-2-(4-phenylphenyl)acetamide;hydrochloride (PubChem CID 121046619) has the molecular formula C29H32ClN3O3S and a molecular weight of 538.11 g/mol. Its IUPAC name is N-(6-methoxy-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)-2-(4-phenylphenyl)acetamide;hydrochloride.

Molecular Properties

Compound NameN-(6-methoxy-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)-2-(4-phenylphenyl)acetamide;hydrochloride
PubChem CID121046619
Molecular FormulaC29H32ClN3O3S
Molecular Weight538.11 g/mol
Exact Mass537.19
IUPAC NameN-(6-methoxy-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)-2-(4-phenylphenyl)acetamide;hydrochloride
SMILESCOc1ccc2nc(N(CCCN3CCOCC3)C(=O)Cc3ccc(-c4ccccc4)cc3)sc2c1.Cl
InChIInChI=1S/C29H31N3O3S.ClH/c1-34-25-12-13-26-27(21-25)36-29(30-26)32(15-5-14-31-16-18-35-19-17-31)28(33)20-22-8-10-24(11-9-22)23-6-3-2-4-7-23;/h2-4,6-13,21H,5,14-20H2,1H3;1H
InChIKeyFFZNBVISBFQRLF-UHFFFAOYSA-N
XLogP5.69
TPSA54.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500538.11
LogP ≤ 55.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-(6-methoxy-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)-2-(4-phenylphenyl)acetamide;hydrochloride with MolForge

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Related Compounds

N-(6-methoxy-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)-4-phenylbenzamide
CID 29070738
N-(6-bromo-1,3-benzothiazol-2-yl)-2-(4-methoxyphenyl)-N-(3-morpholin-4-ylpropyl)acetamide
CID 30715374
2-(1,3-benzodioxol-5-yl)-N-(6-methoxy-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)acetamide
CID 29199737
N-(6-methoxy-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)butanamide;hydrochloride
CID 44899699
N-(6-methoxy-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)naphthalene-1-carboxamide;hydrochloride
CID 44935347
2-(2,4-dimethylphenyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)acetamide;hydrochloride
CID 44935397
2-(4-ethoxyphenyl)-N-(5-methoxy-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)acetamide
CID 30715447
N-(6-chloro-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-2-(4-phenylphenyl)acetamide;hydrochloride
CID 121047708
N-(6-methoxy-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)naphthalene-2-carboxamide
CID 29070856
N-(6-methoxy-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)-1-benzofuran-2-carboxamide;hydrochloride
CID 44916062
N-(6-bromo-1,3-benzothiazol-2-yl)-2-(4-ethoxyphenyl)-N-(3-morpholin-4-ylpropyl)acetamide;hydrochloride
CID 44991468
N-(6-methoxy-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)benzamide
CID 7622625

Frequently Asked Questions

What is the IUPAC name of N-(6-methoxy-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)-2-(4-phenylphenyl)acetamide;hydrochloride?
The IUPAC name of N-(6-methoxy-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)-2-(4-phenylphenyl)acetamide;hydrochloride (CID 121046619) is N-(6-methoxy-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)-2-(4-phenylphenyl)acetamide;hydrochloride.
What is the SMILES notation for N-(6-methoxy-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)-2-(4-phenylphenyl)acetamide;hydrochloride?
The canonical SMILES for N-(6-methoxy-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)-2-(4-phenylphenyl)acetamide;hydrochloride is COc1ccc2nc(N(CCCN3CCOCC3)C(=O)Cc3ccc(-c4ccccc4)cc3)sc2c1.Cl.
What is the InChIKey of N-(6-methoxy-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)-2-(4-phenylphenyl)acetamide;hydrochloride?
The InChIKey is FFZNBVISBFQRLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31N3O3S.ClH/c1-34-25-12-13-26-27(21-25)36-29(30-26)32(15-5-14-31-16-18-35-19-17-31)28(33)20-22-8-10-24(11-9-22)23-6-3-2-4-7-23;/h2-4,6-13,21H,5,14-20H2,1H3;1H.
What are the key properties of N-(6-methoxy-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)-2-(4-phenylphenyl)acetamide;hydrochloride?
N-(6-methoxy-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)-2-(4-phenylphenyl)acetamide;hydrochloride has a molecular weight of 538.11 g/mol, XLogP of 5.69, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methoxy-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)-2-(4-phenylphenyl)acetamide;hydrochloride is sourced from PubChem (CID 121046619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).