2-[(3-cyanophenyl)sulfonyl-ethylamino]-N-(4-methylphenyl)propanamide

C19H21N3O3S — CID 17471485

IUPAC2-[(3-cyanophenyl)sulfonyl-ethylamino]-N-(4-methylphenyl)propanamide
SMILESCCN(C(C)C(=O)Nc1ccc(C)cc1)S(=O)(=O)c1cccc(C#N)c1
InChIInChI=1S/C19H21N3O3S/c1-4-22(26(24,25)18-7-5-6-16(12-18)13-20)15(3)19(23)21-17-10-8-14(2)9-11-17/h5-12,15H,4H2,1-3H3,(H,21,23)
InChIKeyLLBKHXPIILZKNN-UHFFFAOYSA-N
MW371.46 g/mol
LogP2.90
Rot. Bonds6

About 2-[(3-cyanophenyl)sulfonyl-ethylamino]-N-(4-methylphenyl)propanamide

2-[(3-cyanophenyl)sulfonyl-ethylamino]-N-(4-methylphenyl)propanamide (PubChem CID 17471485) has the molecular formula C19H21N3O3S and a molecular weight of 371.46 g/mol. Its IUPAC name is 2-[(3-cyanophenyl)sulfonyl-ethylamino]-N-(4-methylphenyl)propanamide.

Molecular Properties

Compound Name2-[(3-cyanophenyl)sulfonyl-ethylamino]-N-(4-methylphenyl)propanamide
PubChem CID17471485
Molecular FormulaC19H21N3O3S
Molecular Weight371.46 g/mol
Exact Mass371.13
IUPAC Name2-[(3-cyanophenyl)sulfonyl-ethylamino]-N-(4-methylphenyl)propanamide
SMILESCCN(C(C)C(=O)Nc1ccc(C)cc1)S(=O)(=O)c1cccc(C#N)c1
InChIInChI=1S/C19H21N3O3S/c1-4-22(26(24,25)18-7-5-6-16(12-18)13-20)15(3)19(23)21-17-10-8-14(2)9-11-17/h5-12,15H,4H2,1-3H3,(H,21,23)
InChIKeyLLBKHXPIILZKNN-UHFFFAOYSA-N
XLogP2.90
TPSA90.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-cyanophenyl)-2-(diethylamino)propanamide
CID 43176773
3-cyano-N-propan-2-yl-N-propylbenzenesulfonamide
CID 43269699
(2R)-N-(3-cyanophenyl)-2-[3-(diethylsulfamoyl)-4-methylanilino]propanamide
CID 25408581
2-[[3-(cyanomethyl)phenyl]sulfonyl-ethylamino]propanoic acid
CID 154782487
N-(3-cyanophenyl)-2-[propan-2-yl(propyl)amino]propanamide
CID 43269554
2-(diethylamino)-N-(4-methylphenyl)propanamide
CID 24843836
N-(3-cyanophenyl)-2-[methyl(propyl)amino]propanamide
CID 43271245
N-(4-cyanophenyl)-2-[ethyl(methyl)amino]propanamide
CID 43263401
[(2R)-1-(4-methylanilino)-1-oxopropan-2-yl] 3-cyanobenzoate
CID 2626397
(2R)-N-[3-(dimethylsulfamoyl)phenyl]-2-[methyl-[(4-methylphenyl)methyl]amino]propanamide
CID 8517487
N-[3-(dimethylsulfamoyl)phenyl]-2-[methyl-[2-(4-methylphenoxy)ethyl]amino]propanamide
CID 46808821
3-cyano-N-[4-(diethylsulfamoyl)phenyl]benzenesulfonamide
CID 4967372

Frequently Asked Questions

What is the IUPAC name of 2-[(3-cyanophenyl)sulfonyl-ethylamino]-N-(4-methylphenyl)propanamide?
The IUPAC name of 2-[(3-cyanophenyl)sulfonyl-ethylamino]-N-(4-methylphenyl)propanamide (CID 17471485) is 2-[(3-cyanophenyl)sulfonyl-ethylamino]-N-(4-methylphenyl)propanamide.
What is the SMILES notation for 2-[(3-cyanophenyl)sulfonyl-ethylamino]-N-(4-methylphenyl)propanamide?
The canonical SMILES for 2-[(3-cyanophenyl)sulfonyl-ethylamino]-N-(4-methylphenyl)propanamide is CCN(C(C)C(=O)Nc1ccc(C)cc1)S(=O)(=O)c1cccc(C#N)c1.
What is the InChIKey of 2-[(3-cyanophenyl)sulfonyl-ethylamino]-N-(4-methylphenyl)propanamide?
The InChIKey is LLBKHXPIILZKNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3S/c1-4-22(26(24,25)18-7-5-6-16(12-18)13-20)15(3)19(23)21-17-10-8-14(2)9-11-17/h5-12,15H,4H2,1-3H3,(H,21,23).
What are the key properties of 2-[(3-cyanophenyl)sulfonyl-ethylamino]-N-(4-methylphenyl)propanamide?
2-[(3-cyanophenyl)sulfonyl-ethylamino]-N-(4-methylphenyl)propanamide has a molecular weight of 371.46 g/mol, XLogP of 2.90, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-cyanophenyl)sulfonyl-ethylamino]-N-(4-methylphenyl)propanamide is sourced from PubChem (CID 17471485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).