N-(3,3-dimethylbutylsulfonyl)-2,2-diphenylacetamide

C20H25NO3S — CID 86943976

IUPACN-(3,3-dimethylbutylsulfonyl)-2,2-diphenylacetamide
SMILESCC(C)(C)CCS(=O)(=O)NC(=O)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H25NO3S/c1-20(2,3)14-15-25(23,24)21-19(22)18(16-10-6-4-7-11-16)17-12-8-5-9-13-17/h4-13,18H,14-15H2,1-3H3,(H,21,22)
InChIKeyPUUYMHILCXNWNT-UHFFFAOYSA-N
MW359.49 g/mol
LogP3.70
Rot. Bonds6

About N-(3,3-dimethylbutylsulfonyl)-2,2-diphenylacetamide

N-(3,3-dimethylbutylsulfonyl)-2,2-diphenylacetamide (PubChem CID 86943976) has the molecular formula C20H25NO3S and a molecular weight of 359.49 g/mol. Its IUPAC name is N-(3,3-dimethylbutylsulfonyl)-2,2-diphenylacetamide.

Molecular Properties

Compound NameN-(3,3-dimethylbutylsulfonyl)-2,2-diphenylacetamide
PubChem CID86943976
Molecular FormulaC20H25NO3S
Molecular Weight359.49 g/mol
Exact Mass359.16
IUPAC NameN-(3,3-dimethylbutylsulfonyl)-2,2-diphenylacetamide
SMILESCC(C)(C)CCS(=O)(=O)NC(=O)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H25NO3S/c1-20(2,3)14-15-25(23,24)21-19(22)18(16-10-6-4-7-11-16)17-12-8-5-9-13-17/h4-13,18H,14-15H2,1-3H3,(H,21,22)
InChIKeyPUUYMHILCXNWNT-UHFFFAOYSA-N
XLogP3.70
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.49
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(3,3-dimethylbutylsulfonyl)-2,2-diphenylacetamide 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-(3,3-dimethylbutylsulfonyl)-4-methyl-3-phenylpentanamide
CID 86943979
N-(3,3-dimethylbutylsulfonyl)-2-phenylsulfanylbutanamide
CID 86943964
N-[(2S)-2-amino-2-phenylethyl]-3,3-dimethylbutane-1-sulfonamide
CID 99850241
N-(2-amino-2-methylpropyl)-2,2-diphenylacetamide
CID 119628942
2-[(2,2-diphenylacetyl)amino]ethanesulfonic acid
CID 7209593
N-[(2-hydroxyphenyl)methyl]-3,3-dimethylbutane-1-sulfonamide
CID 113240012
2-(3,3-dimethylbutylamino)-2-phenylacetic acid
CID 62108848
2,2-diphenyl-N-(3-sulfamoylpropyl)acetamide
CID 47067593
N'-(2,2-diphenylacetyl)-2,2-dimethylpropanehydrazide
CID 4927491
(2S)-2-(tert-butylsulfonylamino)-2-phenylacetic acid
CID 104897086
(2S)-2-(2-methylsulfonylethylsulfonylamino)-2-phenylacetic acid
CID 103862434
(2S)-2-(benzhydrylamino)-5,5-dimethylhexanoic acid
CID 167496389

Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylbutylsulfonyl)-2,2-diphenylacetamide?
The IUPAC name of N-(3,3-dimethylbutylsulfonyl)-2,2-diphenylacetamide (CID 86943976) is N-(3,3-dimethylbutylsulfonyl)-2,2-diphenylacetamide.
What is the SMILES notation for N-(3,3-dimethylbutylsulfonyl)-2,2-diphenylacetamide?
The canonical SMILES for N-(3,3-dimethylbutylsulfonyl)-2,2-diphenylacetamide is CC(C)(C)CCS(=O)(=O)NC(=O)C(c1ccccc1)c1ccccc1.
What is the InChIKey of N-(3,3-dimethylbutylsulfonyl)-2,2-diphenylacetamide?
The InChIKey is PUUYMHILCXNWNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO3S/c1-20(2,3)14-15-25(23,24)21-19(22)18(16-10-6-4-7-11-16)17-12-8-5-9-13-17/h4-13,18H,14-15H2,1-3H3,(H,21,22).
What are the key properties of N-(3,3-dimethylbutylsulfonyl)-2,2-diphenylacetamide?
N-(3,3-dimethylbutylsulfonyl)-2,2-diphenylacetamide has a molecular weight of 359.49 g/mol, XLogP of 3.70, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylbutylsulfonyl)-2,2-diphenylacetamide is sourced from PubChem (CID 86943976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).