N-(2-cyanophenyl)-3-(2-ethyl-6-methyl-N-methylsulfonylanilino)propanamide

C20H23N3O3S — CID 113142957

IUPACN-(2-cyanophenyl)-3-(2-ethyl-6-methyl-N-methylsulfonylanilino)propanamide
SMILESCCc1cccc(C)c1N(CCC(=O)Nc1ccccc1C#N)S(C)(=O)=O
InChIInChI=1S/C20H23N3O3S/c1-4-16-10-7-8-15(2)20(16)23(27(3,25)26)13-12-19(24)22-18-11-6-5-9-17(18)14-21/h5-11H,4,12-13H2,1-3H3,(H,22,24)
InChIKeyGBLQRQVYTFBITL-UHFFFAOYSA-N
MW385.49 g/mol
LogP3.22
Rot. Bonds7

About N-(2-cyanophenyl)-3-(2-ethyl-6-methyl-N-methylsulfonylanilino)propanamide

N-(2-cyanophenyl)-3-(2-ethyl-6-methyl-N-methylsulfonylanilino)propanamide (PubChem CID 113142957) has the molecular formula C20H23N3O3S and a molecular weight of 385.49 g/mol. Its IUPAC name is N-(2-cyanophenyl)-3-(2-ethyl-6-methyl-N-methylsulfonylanilino)propanamide.

Molecular Properties

Compound NameN-(2-cyanophenyl)-3-(2-ethyl-6-methyl-N-methylsulfonylanilino)propanamide
PubChem CID113142957
Molecular FormulaC20H23N3O3S
Molecular Weight385.49 g/mol
Exact Mass385.15
IUPAC NameN-(2-cyanophenyl)-3-(2-ethyl-6-methyl-N-methylsulfonylanilino)propanamide
SMILESCCc1cccc(C)c1N(CCC(=O)Nc1ccccc1C#N)S(C)(=O)=O
InChIInChI=1S/C20H23N3O3S/c1-4-16-10-7-8-15(2)20(16)23(27(3,25)26)13-12-19(24)22-18-11-6-5-9-17(18)14-21/h5-11H,4,12-13H2,1-3H3,(H,22,24)
InChIKeyGBLQRQVYTFBITL-UHFFFAOYSA-N
XLogP3.22
TPSA90.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.49
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2,6-diethyl-N-methylsulfonylanilino)-N-(2-methylphenyl)propanamide
CID 113143230
N-(2-cyanophenyl)-2-(2,6-diethyl-N-methylsulfonylanilino)acetamide
CID 113154456
3-(N-acetyl-2,6-diethylanilino)-N-(2-cyanophenyl)propanamide
CID 113126234
N-(2-cyanophenyl)-3-(4-methoxy-N-methylsulfonylanilino)propanamide
CID 113144770
3-(2-ethyl-6-methyl-N-methylsulfonylanilino)-N-[(2-fluorophenyl)methyl]propanamide
CID 113142916
N-(2-cyanophenyl)-2-[(2-methylphenyl)methyl-methylsulfonylamino]acetamide
CID 113150616
3-[acetyl-[(2-methylphenyl)methyl]amino]-N-(2-cyanophenyl)propanamide
CID 113118534
N-(2-cyanophenyl)-N'-(2,6-diethylphenyl)propanediamide
CID 108954547
N-(2-cyanophenyl)-3-[cycloheptyl(methylsulfonyl)amino]propanamide
CID 113141082
N-cyclohexyl-3-(2-ethyl-6-methyl-N-methylsulfonylanilino)propanamide
CID 113142895
3-(2,6-dimethyl-N-methylsulfonylanilino)-N-(2,4-dimethylphenyl)propanamide
CID 113142511
2-(2-cyano-N-methylsulfonylanilino)-N-(2-ethyl-6-methylphenyl)acetamide
CID 113157205

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanophenyl)-3-(2-ethyl-6-methyl-N-methylsulfonylanilino)propanamide?
The IUPAC name of N-(2-cyanophenyl)-3-(2-ethyl-6-methyl-N-methylsulfonylanilino)propanamide (CID 113142957) is N-(2-cyanophenyl)-3-(2-ethyl-6-methyl-N-methylsulfonylanilino)propanamide.
What is the SMILES notation for N-(2-cyanophenyl)-3-(2-ethyl-6-methyl-N-methylsulfonylanilino)propanamide?
The canonical SMILES for N-(2-cyanophenyl)-3-(2-ethyl-6-methyl-N-methylsulfonylanilino)propanamide is CCc1cccc(C)c1N(CCC(=O)Nc1ccccc1C#N)S(C)(=O)=O.
What is the InChIKey of N-(2-cyanophenyl)-3-(2-ethyl-6-methyl-N-methylsulfonylanilino)propanamide?
The InChIKey is GBLQRQVYTFBITL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3S/c1-4-16-10-7-8-15(2)20(16)23(27(3,25)26)13-12-19(24)22-18-11-6-5-9-17(18)14-21/h5-11H,4,12-13H2,1-3H3,(H,22,24).
What are the key properties of N-(2-cyanophenyl)-3-(2-ethyl-6-methyl-N-methylsulfonylanilino)propanamide?
N-(2-cyanophenyl)-3-(2-ethyl-6-methyl-N-methylsulfonylanilino)propanamide has a molecular weight of 385.49 g/mol, XLogP of 3.22, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanophenyl)-3-(2-ethyl-6-methyl-N-methylsulfonylanilino)propanamide is sourced from PubChem (CID 113142957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).