N-(1,3-benzothiazol-2-yl)-3-phenyl-N-(4-propan-2-ylphenyl)propanamide

C25H24N2OS — CID 2354057

IUPACN-(1,3-benzothiazol-2-yl)-3-phenyl-N-(4-propan-2-ylphenyl)propanamide
SMILESCC(C)c1ccc(N(C(=O)CCc2ccccc2)c2nc3ccccc3s2)cc1
InChIInChI=1S/C25H24N2OS/c1-18(2)20-13-15-21(16-14-20)27(24(28)17-12-19-8-4-3-5-9-19)25-26-22-10-6-7-11-23(22)29-25/h3-11,13-16,18H,12,17H2,1-2H3
InChIKeyHXXCFATZSWQMHN-UHFFFAOYSA-N
MW400.55 g/mol
LogP6.72
Rot. Bonds6

About N-(1,3-benzothiazol-2-yl)-3-phenyl-N-(4-propan-2-ylphenyl)propanamide

N-(1,3-benzothiazol-2-yl)-3-phenyl-N-(4-propan-2-ylphenyl)propanamide (PubChem CID 2354057) has the molecular formula C25H24N2OS and a molecular weight of 400.55 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-3-phenyl-N-(4-propan-2-ylphenyl)propanamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-3-phenyl-N-(4-propan-2-ylphenyl)propanamide
PubChem CID2354057
Molecular FormulaC25H24N2OS
Molecular Weight400.55 g/mol
Exact Mass400.16
IUPAC NameN-(1,3-benzothiazol-2-yl)-3-phenyl-N-(4-propan-2-ylphenyl)propanamide
SMILESCC(C)c1ccc(N(C(=O)CCc2ccccc2)c2nc3ccccc3s2)cc1
InChIInChI=1S/C25H24N2OS/c1-18(2)20-13-15-21(16-14-20)27(24(28)17-12-19-8-4-3-5-9-19)25-26-22-10-6-7-11-23(22)29-25/h3-11,13-16,18H,12,17H2,1-2H3
InChIKeyHXXCFATZSWQMHN-UHFFFAOYSA-N
XLogP6.72
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.55
LogP ≤ 56.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-acetylphenyl)-N-(1,3-benzothiazol-2-yl)-3-phenylpropanamide
CID 8696722
N-(1,3-benzothiazol-2-yl)-2-(4-phenylphenyl)-N-(4-propan-2-ylphenyl)acetamide
CID 2461820
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)-3-(2-oxo-1,3-benzoxazol-3-yl)-N-(4-propan-2-ylphenyl)propanamide
CID 16561075
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-yl)-N-[3-(dimethylamino)propyl]-3-phenylpropanamide
CID 7577533
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)-N-(4-ethoxyphenyl)-2-methylpropanamide
CID 9208855
N-(1,3-benzothiazol-2-yl)-1-methylsulfonyl-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide
CID 24603324
N-(1,3-benzothiazol-2-yl)-N-(3,5-dimethylphenyl)-3-[(2-phenylacetyl)amino]propanamide
CID 24593276
1-(1,3-benzothiazol-2-yl)-1-phenylurea;dihydrochloride
CID 175170156

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-3-phenyl-N-(4-propan-2-ylphenyl)propanamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-3-phenyl-N-(4-propan-2-ylphenyl)propanamide (CID 2354057) is N-(1,3-benzothiazol-2-yl)-3-phenyl-N-(4-propan-2-ylphenyl)propanamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-3-phenyl-N-(4-propan-2-ylphenyl)propanamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-3-phenyl-N-(4-propan-2-ylphenyl)propanamide is CC(C)c1ccc(N(C(=O)CCc2ccccc2)c2nc3ccccc3s2)cc1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-3-phenyl-N-(4-propan-2-ylphenyl)propanamide?
The InChIKey is HXXCFATZSWQMHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2OS/c1-18(2)20-13-15-21(16-14-20)27(24(28)17-12-19-8-4-3-5-9-19)25-26-22-10-6-7-11-23(22)29-25/h3-11,13-16,18H,12,17H2,1-2H3.
What are the key properties of N-(1,3-benzothiazol-2-yl)-3-phenyl-N-(4-propan-2-ylphenyl)propanamide?
N-(1,3-benzothiazol-2-yl)-3-phenyl-N-(4-propan-2-ylphenyl)propanamide has a molecular weight of 400.55 g/mol, XLogP of 6.72, 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)-3-phenyl-N-(4-propan-2-ylphenyl)propanamide is sourced from PubChem (CID 2354057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).