N-[4-(4-benzoylphenyl)sulfanylphenyl]-2,2-dimethylbutanamide

C25H25NO2S — CID 59476635

IUPACN-[4-(4-benzoylphenyl)sulfanylphenyl]-2,2-dimethylbutanamide
SMILESCCC(C)(C)C(=O)Nc1ccc(Sc2ccc(C(=O)c3ccccc3)cc2)cc1
InChIInChI=1S/C25H25NO2S/c1-4-25(2,3)24(28)26-20-12-16-22(17-13-20)29-21-14-10-19(11-15-21)23(27)18-8-6-5-7-9-18/h5-17H,4H2,1-3H3,(H,26,28)
InChIKeyLKVKHIHMOXKDOK-UHFFFAOYSA-N
MW403.55 g/mol
LogP6.44
Rot. Bonds7

About N-[4-(4-benzoylphenyl)sulfanylphenyl]-2,2-dimethylbutanamide

N-[4-(4-benzoylphenyl)sulfanylphenyl]-2,2-dimethylbutanamide (PubChem CID 59476635) has the molecular formula C25H25NO2S and a molecular weight of 403.55 g/mol. Its IUPAC name is N-[4-(4-benzoylphenyl)sulfanylphenyl]-2,2-dimethylbutanamide.

Molecular Properties

Compound NameN-[4-(4-benzoylphenyl)sulfanylphenyl]-2,2-dimethylbutanamide
PubChem CID59476635
Molecular FormulaC25H25NO2S
Molecular Weight403.55 g/mol
Exact Mass403.16
IUPAC NameN-[4-(4-benzoylphenyl)sulfanylphenyl]-2,2-dimethylbutanamide
SMILESCCC(C)(C)C(=O)Nc1ccc(Sc2ccc(C(=O)c3ccccc3)cc2)cc1
InChIInChI=1S/C25H25NO2S/c1-4-25(2,3)24(28)26-20-12-16-22(17-13-20)29-21-14-10-19(11-15-21)23(27)18-8-6-5-7-9-18/h5-17H,4H2,1-3H3,(H,26,28)
InChIKeyLKVKHIHMOXKDOK-UHFFFAOYSA-N
XLogP6.44
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.55
LogP ≤ 56.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[4-(4-benzoylphenyl)sulfanylphenyl]-2,2-dimethylbutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-benzoylphenyl)-2-hydrazinyl-2-methylbutanamide
CID 143231345
2-[4-(2,2-dimethylbutanoylamino)phenyl]sulfanylacetic acid
CID 23382692
1-[4-(4-benzoylphenyl)sulfanylphenyl]-3-hydroxy-2,2-dimethylpropan-1-one
CID 58731884
4-benzoyl-N-[(2,2-dimethylbutanoylamino)methyl]benzamide
CID 22084428
N-(4-chlorophenyl)-2,2-dimethylbutanamide
CID 842553
N-(4-carbamothioylphenyl)-2,2-dimethylbutanamide
CID 55103346
2-[2-[4-(4-benzoylphenyl)sulfanylphenyl]ethoxy]ethyl 2,2-dimethylbutanoate
CID 59476634
bis(diphenylmethanone);phenylsulfanylbenzene
CID 159073316
N-[4-[2-(hydroxyamino)-2-oxo-1-phenylethyl]phenyl]-2,2-dimethylbutanamide
CID 87444428
N-(4-formylphenyl)-2,2-dimethylbutanamide
CID 89484843
2-[4-(2,2-dimethylbutanoylamino)anilino]propanoic acid
CID 59104816
2-(4-benzoylphenoxy)ethyl 2,2-dimethylbutanoate;N-[4-(4-benzoylphenyl)sulfanylphenyl]-2,2-dimethylbutanamide;bis(3,3-difluoropropyl 2,2-dimethylbutanoate);2-[4-(4-methoxybenzoyl)phenoxy]ethyl 2-methylbutanoate;3-tris(trimethylsilyloxy)silylpropyl 2,2-dimethylbutanoate
CID 160964021

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-benzoylphenyl)sulfanylphenyl]-2,2-dimethylbutanamide?
The IUPAC name of N-[4-(4-benzoylphenyl)sulfanylphenyl]-2,2-dimethylbutanamide (CID 59476635) is N-[4-(4-benzoylphenyl)sulfanylphenyl]-2,2-dimethylbutanamide.
What is the SMILES notation for N-[4-(4-benzoylphenyl)sulfanylphenyl]-2,2-dimethylbutanamide?
The canonical SMILES for N-[4-(4-benzoylphenyl)sulfanylphenyl]-2,2-dimethylbutanamide is CCC(C)(C)C(=O)Nc1ccc(Sc2ccc(C(=O)c3ccccc3)cc2)cc1.
What is the InChIKey of N-[4-(4-benzoylphenyl)sulfanylphenyl]-2,2-dimethylbutanamide?
The InChIKey is LKVKHIHMOXKDOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25NO2S/c1-4-25(2,3)24(28)26-20-12-16-22(17-13-20)29-21-14-10-19(11-15-21)23(27)18-8-6-5-7-9-18/h5-17H,4H2,1-3H3,(H,26,28).
What are the key properties of N-[4-(4-benzoylphenyl)sulfanylphenyl]-2,2-dimethylbutanamide?
N-[4-(4-benzoylphenyl)sulfanylphenyl]-2,2-dimethylbutanamide has a molecular weight of 403.55 g/mol, XLogP of 6.44, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-benzoylphenyl)sulfanylphenyl]-2,2-dimethylbutanamide is sourced from PubChem (CID 59476635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).