N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-3-methoxy-N-(3-morpholin-4-ylpropyl)naphthalene-2-carboxamide

C28H31N3O5S — CID 43999535

About N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-3-methoxy-N-(3-morpholin-4-ylpropyl)naphthalene-2-carboxamide

N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-3-methoxy-N-(3-morpholin-4-ylpropyl)naphthalene-2-carboxamide (PubChem CID 43999535) has the molecular formula C28H31N3O5S and a molecular weight of 521.64 g/mol. Its IUPAC name is N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-3-methoxy-N-(3-morpholin-4-ylpropyl)naphthalene-2-carboxamide.

Molecular Properties

• Compound Name: N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-3-methoxy-N-(3-morpholin-4-ylpropyl)naphthalene-2-carboxamide
• PubChem CID: 43999535
• Molecular Formula: C28H31N3O5S
• Molecular Weight: 521.64 g/mol
• Exact Mass: 521.20
• IUPAC Name: N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-3-methoxy-N-(3-morpholin-4-ylpropyl)naphthalene-2-carboxamide
• SMILES: COc1cc2ccccc2cc1C(=O)N(CCCN1CCOCC1)c1nc2c(OC)ccc(OC)c2s1
• InChI: InChI=1S/C28H31N3O5S/c1-33-22-9-10-23(34-2)26-25(22)29-28(37-26)31(12-6-11-30-13-15-36-16-14-30)27(32)21-17-19-7-4-5-8-20(19)18-24(21)35-3/h4-5,7-10,17-18H,6,11-16H2,1-3H3
• InChIKey: LRZILJWSBZZBNA-UHFFFAOYSA-N
• XLogP: 4.84
• TPSA: 73.36 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	521.64
LogP ≤ 5	4.84
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-3-methoxy-N-(3-morpholin-4-ylpropyl)naphthalene-2-carboxamide?

The IUPAC name of N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-3-methoxy-N-(3-morpholin-4-ylpropyl)naphthalene-2-carboxamide (CID 43999535) is N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-3-methoxy-N-(3-morpholin-4-ylpropyl)naphthalene-2-carboxamide.

What is the SMILES notation for N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-3-methoxy-N-(3-morpholin-4-ylpropyl)naphthalene-2-carboxamide?

The canonical SMILES for N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-3-methoxy-N-(3-morpholin-4-ylpropyl)naphthalene-2-carboxamide is COc1cc2ccccc2cc1C(=O)N(CCCN1CCOCC1)c1nc2c(OC)ccc(OC)c2s1.

What is the InChIKey of N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-3-methoxy-N-(3-morpholin-4-ylpropyl)naphthalene-2-carboxamide?

The InChIKey is LRZILJWSBZZBNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N3O5S/c1-33-22-9-10-23(34-2)26-25(22)29-28(37-26)31(12-6-11-30-13-15-36-16-14-30)27(32)21-17-19-7-4-5-8-20(19)18-24(21)35-3/h4-5,7-10,17-18H,6,11-16H2,1-3H3.

What are the key properties of N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-3-methoxy-N-(3-morpholin-4-ylpropyl)naphthalene-2-carboxamide?

N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-3-methoxy-N-(3-morpholin-4-ylpropyl)naphthalene-2-carboxamide has a molecular weight of 521.64 g/mol, XLogP of 4.84, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-3-methoxy-N-(3-morpholin-4-ylpropyl)naphthalene-2-carboxamide is sourced from PubChem (CID 43999535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).