4-(3,5-dimethyl-N-methylsulfonylanilino)-N-(2-phenylphenyl)butanamide

C25H28N2O3S — CID 100607353

IUPAC4-(3,5-dimethyl-N-methylsulfonylanilino)-N-(2-phenylphenyl)butanamide
SMILESCc1cc(C)cc(N(CCCC(=O)Nc2ccccc2-c2ccccc2)S(C)(=O)=O)c1
InChIInChI=1S/C25H28N2O3S/c1-19-16-20(2)18-22(17-19)27(31(3,29)30)15-9-14-25(28)26-24-13-8-7-12-23(24)21-10-5-4-6-11-21/h4-8,10-13,16-18H,9,14-15H2,1-3H3,(H,26,28)
InChIKeyNJTVDZWPOGAJDO-UHFFFAOYSA-N
MW436.58 g/mol
LogP5.16
Rot. Bonds8

About 4-(3,5-dimethyl-N-methylsulfonylanilino)-N-(2-phenylphenyl)butanamide

4-(3,5-dimethyl-N-methylsulfonylanilino)-N-(2-phenylphenyl)butanamide (PubChem CID 100607353) has the molecular formula C25H28N2O3S and a molecular weight of 436.58 g/mol. Its IUPAC name is 4-(3,5-dimethyl-N-methylsulfonylanilino)-N-(2-phenylphenyl)butanamide.

Molecular Properties

Compound Name4-(3,5-dimethyl-N-methylsulfonylanilino)-N-(2-phenylphenyl)butanamide
PubChem CID100607353
Molecular FormulaC25H28N2O3S
Molecular Weight436.58 g/mol
Exact Mass436.18
IUPAC Name4-(3,5-dimethyl-N-methylsulfonylanilino)-N-(2-phenylphenyl)butanamide
SMILESCc1cc(C)cc(N(CCCC(=O)Nc2ccccc2-c2ccccc2)S(C)(=O)=O)c1
InChIInChI=1S/C25H28N2O3S/c1-19-16-20(2)18-22(17-19)27(31(3,29)30)15-9-14-25(28)26-24-13-8-7-12-23(24)21-10-5-4-6-11-21/h4-8,10-13,16-18H,9,14-15H2,1-3H3,(H,26,28)
InChIKeyNJTVDZWPOGAJDO-UHFFFAOYSA-N
XLogP5.16
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.58
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(3,5-dimethyl-N-methylsulfonylanilino)-N-(2-phenylphenyl)butanamide 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

4-(4-fluoro-N-methylsulfonylanilino)-N-(2-phenylphenyl)butanamide
CID 21173638
2-[4-(3,5-dimethyl-N-methylsulfonylanilino)butanoylamino]-N-[(1R)-1-phenylethyl]benzamide
CID 125052952
2-[4-(3,5-dimethyl-N-methylsulfonylanilino)butanoylamino]-N-[(1S)-1-phenylethyl]benzamide
CID 100608134
N-(2-fluorophenyl)-4-(4-methyl-N-methylsulfonylanilino)butanamide
CID 53285321
2-(2,4-dimethyl-N-methylsulfonylanilino)-N-(2-phenylphenyl)acetamide
CID 1312515
2-[4-(3,5-dimethyl-N-methylsulfonylanilino)butanoylamino]-N-(oxolan-2-ylmethyl)benzamide
CID 133160858
2-(2,6-dimethyl-N-methylsulfonylanilino)-N-(2-phenylphenyl)acetamide
CID 17201030
methyl 4-(3,5-dimethyl-N-methylsulfonylanilino)butanoate
CID 91671548
3-(3,5-dimethyl-N-methylsulfonylanilino)-N-(2,6-dimethylphenyl)propanamide
CID 113142405
4-(4-chloro-N-methylsulfonylanilino)-N-(2-chlorophenyl)butanamide
CID 9173147
4-(3-chloro-N-methylsulfonylanilino)-N-(3,5-dimethylphenyl)butanamide
CID 53285167
2-(3,4-dichloro-N-methylsulfonylanilino)-N-(2-phenylphenyl)acetamide
CID 1312870

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethyl-N-methylsulfonylanilino)-N-(2-phenylphenyl)butanamide?
The IUPAC name of 4-(3,5-dimethyl-N-methylsulfonylanilino)-N-(2-phenylphenyl)butanamide (CID 100607353) is 4-(3,5-dimethyl-N-methylsulfonylanilino)-N-(2-phenylphenyl)butanamide.
What is the SMILES notation for 4-(3,5-dimethyl-N-methylsulfonylanilino)-N-(2-phenylphenyl)butanamide?
The canonical SMILES for 4-(3,5-dimethyl-N-methylsulfonylanilino)-N-(2-phenylphenyl)butanamide is Cc1cc(C)cc(N(CCCC(=O)Nc2ccccc2-c2ccccc2)S(C)(=O)=O)c1.
What is the InChIKey of 4-(3,5-dimethyl-N-methylsulfonylanilino)-N-(2-phenylphenyl)butanamide?
The InChIKey is NJTVDZWPOGAJDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O3S/c1-19-16-20(2)18-22(17-19)27(31(3,29)30)15-9-14-25(28)26-24-13-8-7-12-23(24)21-10-5-4-6-11-21/h4-8,10-13,16-18H,9,14-15H2,1-3H3,(H,26,28).
What are the key properties of 4-(3,5-dimethyl-N-methylsulfonylanilino)-N-(2-phenylphenyl)butanamide?
4-(3,5-dimethyl-N-methylsulfonylanilino)-N-(2-phenylphenyl)butanamide has a molecular weight of 436.58 g/mol, XLogP of 5.16, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethyl-N-methylsulfonylanilino)-N-(2-phenylphenyl)butanamide is sourced from PubChem (CID 100607353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).