N-(2-cyanophenyl)-2-[(2,4,6-trimethylphenyl)sulfonylamino]acetamide

C18H19N3O3S — CID 113001875

IUPACN-(2-cyanophenyl)-2-[(2,4,6-trimethylphenyl)sulfonylamino]acetamide
SMILESCc1cc(C)c(S(=O)(=O)NCC(=O)Nc2ccccc2C#N)c(C)c1
InChIInChI=1S/C18H19N3O3S/c1-12-8-13(2)18(14(3)9-12)25(23,24)20-11-17(22)21-16-7-5-4-6-15(16)10-19/h4-9,20H,11H2,1-3H3,(H,21,22)
InChIKeyBHQACOCLPHJTED-UHFFFAOYSA-N
MW357.44 g/mol
LogP2.40
Rot. Bonds5

About N-(2-cyanophenyl)-2-[(2,4,6-trimethylphenyl)sulfonylamino]acetamide

N-(2-cyanophenyl)-2-[(2,4,6-trimethylphenyl)sulfonylamino]acetamide (PubChem CID 113001875) has the molecular formula C18H19N3O3S and a molecular weight of 357.44 g/mol. Its IUPAC name is N-(2-cyanophenyl)-2-[(2,4,6-trimethylphenyl)sulfonylamino]acetamide.

Molecular Properties

Compound NameN-(2-cyanophenyl)-2-[(2,4,6-trimethylphenyl)sulfonylamino]acetamide
PubChem CID113001875
Molecular FormulaC18H19N3O3S
Molecular Weight357.44 g/mol
Exact Mass357.11
IUPAC NameN-(2-cyanophenyl)-2-[(2,4,6-trimethylphenyl)sulfonylamino]acetamide
SMILESCc1cc(C)c(S(=O)(=O)NCC(=O)Nc2ccccc2C#N)c(C)c1
InChIInChI=1S/C18H19N3O3S/c1-12-8-13(2)18(14(3)9-12)25(23,24)20-11-17(22)21-16-7-5-4-6-15(16)10-19/h4-9,20H,11H2,1-3H3,(H,21,22)
InChIKeyBHQACOCLPHJTED-UHFFFAOYSA-N
XLogP2.40
TPSA99.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.44
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-cyanophenyl)-2-[(2,5-dimethylphenyl)sulfonylamino]acetamide
CID 113001871
N-(2-cyanophenyl)-2-[(4-methoxy-3-methylphenyl)sulfonylamino]acetamide
CID 113001879
N-(2-cyanophenyl)-2-[(4-ethylphenyl)sulfonylamino]acetamide
CID 113001872
N-(3-chloro-2-methylphenyl)-2-[(2,4,6-trimethylphenyl)sulfonylamino]acetamide
CID 40753222
N-(2-cyanophenyl)-2-[(2,4-dimethoxyphenyl)sulfonylamino]acetamide
CID 113001883
N-(2-cyanophenyl)-2-(methylamino)acetamide
CID 24697085
N-(2-cyanophenyl)-2-[(4-propan-2-yloxyphenyl)sulfonylamino]acetamide
CID 113001906
N'-(2-chloro-4,6-dimethylphenyl)-N-(2-cyanophenyl)propanediamide
CID 108955380
N-(3-methylphenyl)-2-[(2,4,6-trimethylphenyl)sulfonylamino]acetamide
CID 772299
N-(2-cyanophenyl)-N'-(2,4,6-trimethylphenyl)oxamide
CID 108501524
N-(2-cyanophenyl)-2-propan-2-ylsulfonylacetamide
CID 63172628
N-(2-cyanophenyl)-2-(2,4-dimethylphenoxy)acetamide
CID 876328

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanophenyl)-2-[(2,4,6-trimethylphenyl)sulfonylamino]acetamide?
The IUPAC name of N-(2-cyanophenyl)-2-[(2,4,6-trimethylphenyl)sulfonylamino]acetamide (CID 113001875) is N-(2-cyanophenyl)-2-[(2,4,6-trimethylphenyl)sulfonylamino]acetamide.
What is the SMILES notation for N-(2-cyanophenyl)-2-[(2,4,6-trimethylphenyl)sulfonylamino]acetamide?
The canonical SMILES for N-(2-cyanophenyl)-2-[(2,4,6-trimethylphenyl)sulfonylamino]acetamide is Cc1cc(C)c(S(=O)(=O)NCC(=O)Nc2ccccc2C#N)c(C)c1.
What is the InChIKey of N-(2-cyanophenyl)-2-[(2,4,6-trimethylphenyl)sulfonylamino]acetamide?
The InChIKey is BHQACOCLPHJTED-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3S/c1-12-8-13(2)18(14(3)9-12)25(23,24)20-11-17(22)21-16-7-5-4-6-15(16)10-19/h4-9,20H,11H2,1-3H3,(H,21,22).
What are the key properties of N-(2-cyanophenyl)-2-[(2,4,6-trimethylphenyl)sulfonylamino]acetamide?
N-(2-cyanophenyl)-2-[(2,4,6-trimethylphenyl)sulfonylamino]acetamide has a molecular weight of 357.44 g/mol, XLogP of 2.40, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanophenyl)-2-[(2,4,6-trimethylphenyl)sulfonylamino]acetamide is sourced from PubChem (CID 113001875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).