2-[4-(diethylamino)-2-hydroxybenzoyl]-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]benzamide

C32H29N3O3S — CID 10392377

IUPAC2-[4-(diethylamino)-2-hydroxybenzoyl]-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]benzamide
SMILESCCN(CC)c1ccc(C(=O)c2ccccc2C(=O)Nc2ccc(-c3nc4ccc(C)cc4s3)cc2)c(O)c1
InChIInChI=1S/C32H29N3O3S/c1-4-35(5-2)23-15-16-26(28(36)19-23)30(37)24-8-6-7-9-25(24)31(38)33-22-13-11-21(12-14-22)32-34-27-17-10-20(3)18-29(27)39-32/h6-19,36H,4-5H2,1-3H3,(H,33,38)
InChIKeyOSFUFOZZFJXFPL-UHFFFAOYSA-N
MW535.67 g/mol
LogP7.31
Rot. Bonds8

About 2-[4-(diethylamino)-2-hydroxybenzoyl]-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]benzamide

2-[4-(diethylamino)-2-hydroxybenzoyl]-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]benzamide (PubChem CID 10392377) has the molecular formula C32H29N3O3S and a molecular weight of 535.67 g/mol. Its IUPAC name is 2-[4-(diethylamino)-2-hydroxybenzoyl]-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]benzamide.

Molecular Properties

Compound Name2-[4-(diethylamino)-2-hydroxybenzoyl]-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]benzamide
PubChem CID10392377
Molecular FormulaC32H29N3O3S
Molecular Weight535.67 g/mol
Exact Mass535.19
IUPAC Name2-[4-(diethylamino)-2-hydroxybenzoyl]-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]benzamide
SMILESCCN(CC)c1ccc(C(=O)c2ccccc2C(=O)Nc2ccc(-c3nc4ccc(C)cc4s3)cc2)c(O)c1
InChIInChI=1S/C32H29N3O3S/c1-4-35(5-2)23-15-16-26(28(36)19-23)30(37)24-8-6-7-9-25(24)31(38)33-22-13-11-21(12-14-22)32-34-27-17-10-20(3)18-29(27)39-32/h6-19,36H,4-5H2,1-3H3,(H,33,38)
InChIKeyOSFUFOZZFJXFPL-UHFFFAOYSA-N
XLogP7.31
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500535.67
LogP ≤ 57.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(diethylamino)-2-hydroxybenzoyl]-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]benzamide?
The IUPAC name of 2-[4-(diethylamino)-2-hydroxybenzoyl]-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]benzamide (CID 10392377) is 2-[4-(diethylamino)-2-hydroxybenzoyl]-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]benzamide.
What is the SMILES notation for 2-[4-(diethylamino)-2-hydroxybenzoyl]-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]benzamide?
The canonical SMILES for 2-[4-(diethylamino)-2-hydroxybenzoyl]-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]benzamide is CCN(CC)c1ccc(C(=O)c2ccccc2C(=O)Nc2ccc(-c3nc4ccc(C)cc4s3)cc2)c(O)c1.
What is the InChIKey of 2-[4-(diethylamino)-2-hydroxybenzoyl]-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]benzamide?
The InChIKey is OSFUFOZZFJXFPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H29N3O3S/c1-4-35(5-2)23-15-16-26(28(36)19-23)30(37)24-8-6-7-9-25(24)31(38)33-22-13-11-21(12-14-22)32-34-27-17-10-20(3)18-29(27)39-32/h6-19,36H,4-5H2,1-3H3,(H,33,38).
What are the key properties of 2-[4-(diethylamino)-2-hydroxybenzoyl]-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]benzamide?
2-[4-(diethylamino)-2-hydroxybenzoyl]-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]benzamide has a molecular weight of 535.67 g/mol, XLogP of 7.31, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(diethylamino)-2-hydroxybenzoyl]-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]benzamide is sourced from PubChem (CID 10392377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).