N-benzyl-3-[tert-butyl(methylsulfonyl)amino]-N-phenylpropanamide

C21H28N2O3S — CID 113140923

IUPACN-benzyl-3-[tert-butyl(methylsulfonyl)amino]-N-phenylpropanamide
SMILESCC(C)(C)N(CCC(=O)N(Cc1ccccc1)c1ccccc1)S(C)(=O)=O
InChIInChI=1S/C21H28N2O3S/c1-21(2,3)23(27(4,25)26)16-15-20(24)22(19-13-9-6-10-14-19)17-18-11-7-5-8-12-18/h5-14H,15-17H2,1-4H3
InChIKeyZEPYPFUMZHKSHJ-UHFFFAOYSA-N
MW388.53 g/mol
LogP3.67
Rot. Bonds7

About N-benzyl-3-[tert-butyl(methylsulfonyl)amino]-N-phenylpropanamide

N-benzyl-3-[tert-butyl(methylsulfonyl)amino]-N-phenylpropanamide (PubChem CID 113140923) has the molecular formula C21H28N2O3S and a molecular weight of 388.53 g/mol. Its IUPAC name is N-benzyl-3-[tert-butyl(methylsulfonyl)amino]-N-phenylpropanamide.

Molecular Properties

Compound NameN-benzyl-3-[tert-butyl(methylsulfonyl)amino]-N-phenylpropanamide
PubChem CID113140923
Molecular FormulaC21H28N2O3S
Molecular Weight388.53 g/mol
Exact Mass388.18
IUPAC NameN-benzyl-3-[tert-butyl(methylsulfonyl)amino]-N-phenylpropanamide
SMILESCC(C)(C)N(CCC(=O)N(Cc1ccccc1)c1ccccc1)S(C)(=O)=O
InChIInChI=1S/C21H28N2O3S/c1-21(2,3)23(27(4,25)26)16-15-20(24)22(19-13-9-6-10-14-19)17-18-11-7-5-8-12-18/h5-14H,15-17H2,1-4H3
InChIKeyZEPYPFUMZHKSHJ-UHFFFAOYSA-N
XLogP3.67
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.53
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(N-benzylanilino)-3-oxopropyl]-2,2-dimethylpropanamide
CID 24630749
N-benzyl-4-hydroxy-N-phenylbutanamide
CID 79191710
3-[acetyl-[2-(dimethylamino)ethyl]amino]-N-benzyl-N-phenylpropanamide
CID 113117602
3-[benzyl(methylsulfonyl)amino]-N-methyl-N-phenylpropanamide
CID 113138673
N-[2-[tert-butyl(methylsulfonyl)amino]ethyl]-2-phenylacetamide
CID 113068029
N-benzyl-5-hydroxy-N-phenylpentanamide
CID 79194764
N-benzyl-2-(2-methyl-N-methylsulfonylanilino)-N-phenylacetamide
CID 55358303
3-[acetyl(furan-2-ylmethyl)amino]-N-benzyl-N-phenylpropanamide
CID 113118141
N-benzyl-N-phenylmethanesulfonamide;ethane
CID 142134956
N-[3-(N-benzylanilino)-3-oxopropyl]-2-methylbenzamide
CID 18090249
3-[2-(dimethylamino)ethyl-methylsulfonylamino]-N-ethyl-N-phenylpropanamide
CID 113138161
2-amino-N-[(4-ethylphenyl)methyl]-N-phenylacetamide
CID 39367115

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-[tert-butyl(methylsulfonyl)amino]-N-phenylpropanamide?
The IUPAC name of N-benzyl-3-[tert-butyl(methylsulfonyl)amino]-N-phenylpropanamide (CID 113140923) is N-benzyl-3-[tert-butyl(methylsulfonyl)amino]-N-phenylpropanamide.
What is the SMILES notation for N-benzyl-3-[tert-butyl(methylsulfonyl)amino]-N-phenylpropanamide?
The canonical SMILES for N-benzyl-3-[tert-butyl(methylsulfonyl)amino]-N-phenylpropanamide is CC(C)(C)N(CCC(=O)N(Cc1ccccc1)c1ccccc1)S(C)(=O)=O.
What is the InChIKey of N-benzyl-3-[tert-butyl(methylsulfonyl)amino]-N-phenylpropanamide?
The InChIKey is ZEPYPFUMZHKSHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O3S/c1-21(2,3)23(27(4,25)26)16-15-20(24)22(19-13-9-6-10-14-19)17-18-11-7-5-8-12-18/h5-14H,15-17H2,1-4H3.
What are the key properties of N-benzyl-3-[tert-butyl(methylsulfonyl)amino]-N-phenylpropanamide?
N-benzyl-3-[tert-butyl(methylsulfonyl)amino]-N-phenylpropanamide has a molecular weight of 388.53 g/mol, XLogP of 3.67, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-[tert-butyl(methylsulfonyl)amino]-N-phenylpropanamide is sourced from PubChem (CID 113140923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).