N-(1,3-benzothiazol-2-yl)-2-(4-phenylphenyl)-N-(4-propan-2-ylphenyl)acetamide

C30H26N2OS — CID 2461820

IUPACN-(1,3-benzothiazol-2-yl)-2-(4-phenylphenyl)-N-(4-propan-2-ylphenyl)acetamide
SMILESCC(C)c1ccc(N(C(=O)Cc2ccc(-c3ccccc3)cc2)c2nc3ccccc3s2)cc1
InChIInChI=1S/C30H26N2OS/c1-21(2)23-16-18-26(19-17-23)32(30-31-27-10-6-7-11-28(27)34-30)29(33)20-22-12-14-25(15-13-22)24-8-4-3-5-9-24/h3-19,21H,20H2,1-2H3
InChIKeyZCADNMCEGCZDMS-UHFFFAOYSA-N
MW462.62 g/mol
LogP7.99
Rot. Bonds6

About N-(1,3-benzothiazol-2-yl)-2-(4-phenylphenyl)-N-(4-propan-2-ylphenyl)acetamide

N-(1,3-benzothiazol-2-yl)-2-(4-phenylphenyl)-N-(4-propan-2-ylphenyl)acetamide (PubChem CID 2461820) has the molecular formula C30H26N2OS and a molecular weight of 462.62 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-2-(4-phenylphenyl)-N-(4-propan-2-ylphenyl)acetamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-2-(4-phenylphenyl)-N-(4-propan-2-ylphenyl)acetamide
PubChem CID2461820
Molecular FormulaC30H26N2OS
Molecular Weight462.62 g/mol
Exact Mass462.18
IUPAC NameN-(1,3-benzothiazol-2-yl)-2-(4-phenylphenyl)-N-(4-propan-2-ylphenyl)acetamide
SMILESCC(C)c1ccc(N(C(=O)Cc2ccc(-c3ccccc3)cc2)c2nc3ccccc3s2)cc1
InChIInChI=1S/C30H26N2OS/c1-21(2)23-16-18-26(19-17-23)32(30-31-27-10-6-7-11-28(27)34-30)29(33)20-22-12-14-25(15-13-22)24-8-4-3-5-9-24/h3-19,21H,20H2,1-2H3
InChIKeyZCADNMCEGCZDMS-UHFFFAOYSA-N
XLogP7.99
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.62
LogP ≤ 57.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1,3-benzothiazol-2-yl)-3-phenyl-N-(4-propan-2-ylphenyl)propanamide
CID 2354057
N-(1,3-benzothiazol-2-yl)-3-(2,5-dioxopyrrolidin-1-yl)-N-(4-propan-2-ylphenyl)propanamide
CID 36666425
N-(1,3-benzothiazol-2-yl)-2-(2-oxo-1,3-thiazolidin-3-yl)-N-(4-propan-2-ylphenyl)acetamide
CID 18089616
N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-2-(4-phenylphenyl)acetamide
CID 26419053
N-(4-acetylphenyl)-N-(1,3-benzothiazol-2-yl)-3-phenylpropanamide
CID 8696722
N-(1,3-benzothiazol-2-yl)-3-(2-oxo-1,3-benzoxazol-3-yl)-N-(4-propan-2-ylphenyl)propanamide
CID 16561075
N-(1,3-benzothiazol-2-yl)-N-(4-ethoxyphenyl)-2-methylpropanamide
CID 9208855
N-(4-acetylphenyl)-N-(1,3-benzothiazol-2-yl)-2-(2-fluorophenyl)acetamide
CID 2573049
N-(1,3-benzothiazol-2-yl)-6-oxo-N-(4-propan-2-ylphenyl)-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 9108899
N-(1,3-benzothiazol-2-yl)-N-(3-chlorophenyl)-3,3-diphenylpropanamide
CID 2477898
N-(1,3-benzothiazol-2-yl)-1-methylsulfonyl-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide
CID 24603324
N-[4-[4-[N-(1,3-benzothiazol-2-yl)-4-phenylanilino]phenyl]phenyl]-N-(4-phenylphenyl)-1,3-benzothiazol-2-amine
CID 176587430

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-2-(4-phenylphenyl)-N-(4-propan-2-ylphenyl)acetamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-2-(4-phenylphenyl)-N-(4-propan-2-ylphenyl)acetamide (CID 2461820) is N-(1,3-benzothiazol-2-yl)-2-(4-phenylphenyl)-N-(4-propan-2-ylphenyl)acetamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-2-(4-phenylphenyl)-N-(4-propan-2-ylphenyl)acetamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-2-(4-phenylphenyl)-N-(4-propan-2-ylphenyl)acetamide is CC(C)c1ccc(N(C(=O)Cc2ccc(-c3ccccc3)cc2)c2nc3ccccc3s2)cc1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-2-(4-phenylphenyl)-N-(4-propan-2-ylphenyl)acetamide?
The InChIKey is ZCADNMCEGCZDMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26N2OS/c1-21(2)23-16-18-26(19-17-23)32(30-31-27-10-6-7-11-28(27)34-30)29(33)20-22-12-14-25(15-13-22)24-8-4-3-5-9-24/h3-19,21H,20H2,1-2H3.
What are the key properties of N-(1,3-benzothiazol-2-yl)-2-(4-phenylphenyl)-N-(4-propan-2-ylphenyl)acetamide?
N-(1,3-benzothiazol-2-yl)-2-(4-phenylphenyl)-N-(4-propan-2-ylphenyl)acetamide has a molecular weight of 462.62 g/mol, XLogP of 7.99, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-yl)-2-(4-phenylphenyl)-N-(4-propan-2-ylphenyl)acetamide is sourced from PubChem (CID 2461820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).