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

C17H17N3O5S — CID 113001883

IUPACN-(2-cyanophenyl)-2-[(2,4-dimethoxyphenyl)sulfonylamino]acetamide
SMILESCOc1ccc(S(=O)(=O)NCC(=O)Nc2ccccc2C#N)c(OC)c1
InChIInChI=1S/C17H17N3O5S/c1-24-13-7-8-16(15(9-13)25-2)26(22,23)19-11-17(21)20-14-6-4-3-5-12(14)10-18/h3-9,19H,11H2,1-2H3,(H,20,21)
InChIKeyRTIDWQQOLCBZLH-UHFFFAOYSA-N
MW375.41 g/mol
LogP1.49
Rot. Bonds7

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

N-(2-cyanophenyl)-2-[(2,4-dimethoxyphenyl)sulfonylamino]acetamide (PubChem CID 113001883) has the molecular formula C17H17N3O5S and a molecular weight of 375.41 g/mol. Its IUPAC name is N-(2-cyanophenyl)-2-[(2,4-dimethoxyphenyl)sulfonylamino]acetamide.

Molecular Properties

Compound NameN-(2-cyanophenyl)-2-[(2,4-dimethoxyphenyl)sulfonylamino]acetamide
PubChem CID113001883
Molecular FormulaC17H17N3O5S
Molecular Weight375.41 g/mol
Exact Mass375.09
IUPAC NameN-(2-cyanophenyl)-2-[(2,4-dimethoxyphenyl)sulfonylamino]acetamide
SMILESCOc1ccc(S(=O)(=O)NCC(=O)Nc2ccccc2C#N)c(OC)c1
InChIInChI=1S/C17H17N3O5S/c1-24-13-7-8-16(15(9-13)25-2)26(22,23)19-11-17(21)20-14-6-4-3-5-12(14)10-18/h3-9,19H,11H2,1-2H3,(H,20,21)
InChIKeyRTIDWQQOLCBZLH-UHFFFAOYSA-N
XLogP1.49
TPSA117.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.41
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-chlorophenyl)-2-[(2,4-dimethoxyphenyl)sulfonylamino]acetamide
CID 112997799
2-[(2,4-dimethoxyphenyl)sulfonylamino]-N-(2-ethoxyphenyl)acetamide
CID 112998835
N-(2-cyanophenyl)-2-[(4-methoxy-3-methylphenyl)sulfonylamino]acetamide
CID 113001879
N-(2-cyanophenyl)-2-[(2,5-dimethylphenyl)sulfonylamino]acetamide
CID 113001871
[2-(2,5-dimethoxyanilino)-2-oxoethyl] 2-[(2-cyanophenyl)sulfonylamino]acetate
CID 2571060
N-(2-cyanophenyl)-2-[(4-propan-2-yloxyphenyl)sulfonylamino]acetamide
CID 113001906
N-(2-cyanophenyl)-2-[(2,4,6-trimethylphenyl)sulfonylamino]acetamide
CID 113001875
2-[(2,4-dimethoxyphenyl)sulfonylamino]-N-[(2-methoxyphenyl)methyl]acetamide
CID 112992756
methyl 2-[[2-[(4-methoxy-2-methylphenyl)sulfonylamino]acetyl]amino]benzoate
CID 112999849
2-[(2,5-dimethoxyphenyl)sulfonylamino]-N-(2,3-dimethylphenyl)acetamide
CID 26943206
N-(2-cyanophenyl)-2-[(4-ethylphenyl)sulfonylamino]acetamide
CID 113001872
2-[(2,4-dimethoxyphenyl)sulfonylamino]-N-methyl-N-phenylacetamide
CID 112996322

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanophenyl)-2-[(2,4-dimethoxyphenyl)sulfonylamino]acetamide?
The IUPAC name of N-(2-cyanophenyl)-2-[(2,4-dimethoxyphenyl)sulfonylamino]acetamide (CID 113001883) is N-(2-cyanophenyl)-2-[(2,4-dimethoxyphenyl)sulfonylamino]acetamide.
What is the SMILES notation for N-(2-cyanophenyl)-2-[(2,4-dimethoxyphenyl)sulfonylamino]acetamide?
The canonical SMILES for N-(2-cyanophenyl)-2-[(2,4-dimethoxyphenyl)sulfonylamino]acetamide is COc1ccc(S(=O)(=O)NCC(=O)Nc2ccccc2C#N)c(OC)c1.
What is the InChIKey of N-(2-cyanophenyl)-2-[(2,4-dimethoxyphenyl)sulfonylamino]acetamide?
The InChIKey is RTIDWQQOLCBZLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O5S/c1-24-13-7-8-16(15(9-13)25-2)26(22,23)19-11-17(21)20-14-6-4-3-5-12(14)10-18/h3-9,19H,11H2,1-2H3,(H,20,21).
What are the key properties of N-(2-cyanophenyl)-2-[(2,4-dimethoxyphenyl)sulfonylamino]acetamide?
N-(2-cyanophenyl)-2-[(2,4-dimethoxyphenyl)sulfonylamino]acetamide has a molecular weight of 375.41 g/mol, XLogP of 1.49, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanophenyl)-2-[(2,4-dimethoxyphenyl)sulfonylamino]acetamide is sourced from PubChem (CID 113001883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).