N-(3-cyanophenyl)-2-[(2,5-dimethylphenyl)sulfonyl-ethylamino]acetamide

C19H21N3O3S — CID 100781224

IUPACN-(3-cyanophenyl)-2-[(2,5-dimethylphenyl)sulfonyl-ethylamino]acetamide
SMILESCCN(CC(=O)Nc1cccc(C#N)c1)S(=O)(=O)c1cc(C)ccc1C
InChIInChI=1S/C19H21N3O3S/c1-4-22(26(24,25)18-10-14(2)8-9-15(18)3)13-19(23)21-17-7-5-6-16(11-17)12-20/h5-11H,4,13H2,1-3H3,(H,21,23)
InChIKeyLZDHLLRRBISGHX-UHFFFAOYSA-N
MW371.46 g/mol
LogP2.82
Rot. Bonds6

About N-(3-cyanophenyl)-2-[(2,5-dimethylphenyl)sulfonyl-ethylamino]acetamide

N-(3-cyanophenyl)-2-[(2,5-dimethylphenyl)sulfonyl-ethylamino]acetamide (PubChem CID 100781224) has the molecular formula C19H21N3O3S and a molecular weight of 371.46 g/mol. Its IUPAC name is N-(3-cyanophenyl)-2-[(2,5-dimethylphenyl)sulfonyl-ethylamino]acetamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-2-[(2,5-dimethylphenyl)sulfonyl-ethylamino]acetamide
PubChem CID100781224
Molecular FormulaC19H21N3O3S
Molecular Weight371.46 g/mol
Exact Mass371.13
IUPAC NameN-(3-cyanophenyl)-2-[(2,5-dimethylphenyl)sulfonyl-ethylamino]acetamide
SMILESCCN(CC(=O)Nc1cccc(C#N)c1)S(=O)(=O)c1cc(C)ccc1C
InChIInChI=1S/C19H21N3O3S/c1-4-22(26(24,25)18-10-14(2)8-9-15(18)3)13-19(23)21-17-7-5-6-16(11-17)12-20/h5-11H,4,13H2,1-3H3,(H,21,23)
InChIKeyLZDHLLRRBISGHX-UHFFFAOYSA-N
XLogP2.82
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 ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-dimethylphenyl)-2-[(2,5-dimethylphenyl)sulfonyl-ethylamino]acetamide
CID 100781411
2-[(2,5-dimethylphenyl)sulfonyl-ethylamino]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 100781494
(2R)-N-(3-cyanophenyl)-2-[3-(diethylsulfamoyl)-4-methylanilino]propanamide
CID 25408581
N-(2,4-dimethylphenyl)-2-[(2,5-dimethylphenyl)sulfonyl-ethylamino]acetamide
CID 100781403
N-(3-acetamidophenyl)-2-[ethyl-(2-methoxy-5-methylphenyl)sulfonylamino]acetamide
CID 45372690
2-(N-acetyl-2,4-dimethylanilino)-N-(3-cyanophenyl)acetamide
CID 113168034
2-(3-chloro-N-(2-methoxy-5-methylphenyl)sulfonyl-4-methylanilino)-N-(3-cyanophenyl)acetamide
CID 100797080
2-[(2,5-dimethylphenyl)sulfonyl-ethylamino]-N-(2-methoxy-5-methylphenyl)acetamide
CID 100781520
N-(3-cyanophenyl)-2-(3-methyl-N-methylsulfonylanilino)acetamide
CID 113153763
N-(3-cyanophenyl)-2-(N-(4-methylphenyl)sulfonylanilino)acetamide
CID 25497895
N-(3-cyanophenyl)-3-(2,4-dimethylanilino)propanamide
CID 109035241
N-(3-cyanophenyl)-2-[(2-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 100792586

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-2-[(2,5-dimethylphenyl)sulfonyl-ethylamino]acetamide?
The IUPAC name of N-(3-cyanophenyl)-2-[(2,5-dimethylphenyl)sulfonyl-ethylamino]acetamide (CID 100781224) is N-(3-cyanophenyl)-2-[(2,5-dimethylphenyl)sulfonyl-ethylamino]acetamide.
What is the SMILES notation for N-(3-cyanophenyl)-2-[(2,5-dimethylphenyl)sulfonyl-ethylamino]acetamide?
The canonical SMILES for N-(3-cyanophenyl)-2-[(2,5-dimethylphenyl)sulfonyl-ethylamino]acetamide is CCN(CC(=O)Nc1cccc(C#N)c1)S(=O)(=O)c1cc(C)ccc1C.
What is the InChIKey of N-(3-cyanophenyl)-2-[(2,5-dimethylphenyl)sulfonyl-ethylamino]acetamide?
The InChIKey is LZDHLLRRBISGHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3S/c1-4-22(26(24,25)18-10-14(2)8-9-15(18)3)13-19(23)21-17-7-5-6-16(11-17)12-20/h5-11H,4,13H2,1-3H3,(H,21,23).
What are the key properties of N-(3-cyanophenyl)-2-[(2,5-dimethylphenyl)sulfonyl-ethylamino]acetamide?
N-(3-cyanophenyl)-2-[(2,5-dimethylphenyl)sulfonyl-ethylamino]acetamide has a molecular weight of 371.46 g/mol, XLogP of 2.82, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-2-[(2,5-dimethylphenyl)sulfonyl-ethylamino]acetamide is sourced from PubChem (CID 100781224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).