1,1'-biphenyl;N,N-dimethylmethanesulfonamide;N,N-dimethylpropanamide

C20H30N2O3S — CID 90963668

IUPAC1,1'-biphenyl;N,N-dimethylmethanesulfonamide;N,N-dimethylpropanamide
SMILESCCC(=O)N(C)C.CN(C)S(C)(=O)=O.c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C12H10.C5H11NO.C3H9NO2S/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-4-5(7)6(2)3;1-4(2)7(3,5)6/h1-10H;4H2,1-3H3;1-3H3
InChIKeyABYPKCUYZJRBKB-UHFFFAOYSA-N
MW378.54 g/mol
LogP3.35
Rot. Bonds3

About 1,1'-biphenyl;N,N-dimethylmethanesulfonamide;N,N-dimethylpropanamide

1,1'-biphenyl;N,N-dimethylmethanesulfonamide;N,N-dimethylpropanamide (PubChem CID 90963668) has the molecular formula C20H30N2O3S and a molecular weight of 378.54 g/mol. Its IUPAC name is 1,1'-biphenyl;N,N-dimethylmethanesulfonamide;N,N-dimethylpropanamide.

Molecular Properties

Compound Name1,1'-biphenyl;N,N-dimethylmethanesulfonamide;N,N-dimethylpropanamide
PubChem CID90963668
Molecular FormulaC20H30N2O3S
Molecular Weight378.54 g/mol
Exact Mass378.20
IUPAC Name1,1'-biphenyl;N,N-dimethylmethanesulfonamide;N,N-dimethylpropanamide
SMILESCCC(=O)N(C)C.CN(C)S(C)(=O)=O.c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C12H10.C5H11NO.C3H9NO2S/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-4-5(7)6(2)3;1-4(2)7(3,5)6/h1-10H;4H2,1-3H3;1-3H3
InChIKeyABYPKCUYZJRBKB-UHFFFAOYSA-N
XLogP3.35
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.54
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1,1'-biphenyl;bis(N,N-dimethylmethanesulfonamide);methane;naphthalene;bis(tridecane)
CID 158984698
1,1'-biphenyl;propanoyl bromide
CID 175328868
1,1'-biphenyl;propanamide
CID 155213147
N,N-dimethyl-4-oxo-4-(4-phenylphenyl)butanamide
CID 154274689
benzene;N,N-dimethylmethanesulfonamide;ethane
CID 91013702
2-[methyl-(4-phenylphenyl)sulfonylamino]acetic acid
CID 90148129
N,N-dimethyl-2-(2-methylsulfonylphenyl)acetamide
CID 110436884
2-(2-ethoxy-N-methylsulfonylanilino)-N,N-dimethylacetamide
CID 30168858
4-(dimethylamino)-4-oxo-2-phenylbutanoic acid;methanesulfonic acid
CID 175181056
1,1'-biphenyl;methanol;propane
CID 91033003
N-benzyl-2-chloro-N-methylsulfonylacetamide
CID 83381162
2-hydroxy-N-methyl-N-(4-phenylphenyl)acetamide
CID 115139692

Frequently Asked Questions

What is the IUPAC name of 1,1'-biphenyl;N,N-dimethylmethanesulfonamide;N,N-dimethylpropanamide?
The IUPAC name of 1,1'-biphenyl;N,N-dimethylmethanesulfonamide;N,N-dimethylpropanamide (CID 90963668) is 1,1'-biphenyl;N,N-dimethylmethanesulfonamide;N,N-dimethylpropanamide.
What is the SMILES notation for 1,1'-biphenyl;N,N-dimethylmethanesulfonamide;N,N-dimethylpropanamide?
The canonical SMILES for 1,1'-biphenyl;N,N-dimethylmethanesulfonamide;N,N-dimethylpropanamide is CCC(=O)N(C)C.CN(C)S(C)(=O)=O.c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 1,1'-biphenyl;N,N-dimethylmethanesulfonamide;N,N-dimethylpropanamide?
The InChIKey is ABYPKCUYZJRBKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10.C5H11NO.C3H9NO2S/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-4-5(7)6(2)3;1-4(2)7(3,5)6/h1-10H;4H2,1-3H3;1-3H3.
What are the key properties of 1,1'-biphenyl;N,N-dimethylmethanesulfonamide;N,N-dimethylpropanamide?
1,1'-biphenyl;N,N-dimethylmethanesulfonamide;N,N-dimethylpropanamide has a molecular weight of 378.54 g/mol, XLogP of 3.35, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1'-biphenyl;N,N-dimethylmethanesulfonamide;N,N-dimethylpropanamide is sourced from PubChem (CID 90963668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).