N-(3-cyanophenyl)-N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]acetamide

C18H19N3O4S — CID 113064274

IUPACN-(3-cyanophenyl)-N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]acetamide
SMILESCOc1ccc(S(=O)(=O)NCCN(C(C)=O)c2cccc(C#N)c2)cc1
InChIInChI=1S/C18H19N3O4S/c1-14(22)21(16-5-3-4-15(12-16)13-19)11-10-20-26(23,24)18-8-6-17(25-2)7-9-18/h3-9,12,20H,10-11H2,1-2H3
InChIKeyJGVNAZIGQQUIFZ-UHFFFAOYSA-N
MW373.43 g/mol
LogP1.90
Rot. Bonds7

About N-(3-cyanophenyl)-N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]acetamide

N-(3-cyanophenyl)-N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]acetamide (PubChem CID 113064274) has the molecular formula C18H19N3O4S and a molecular weight of 373.43 g/mol. Its IUPAC name is N-(3-cyanophenyl)-N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]acetamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]acetamide
PubChem CID113064274
Molecular FormulaC18H19N3O4S
Molecular Weight373.43 g/mol
Exact Mass373.11
IUPAC NameN-(3-cyanophenyl)-N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]acetamide
SMILESCOc1ccc(S(=O)(=O)NCCN(C(C)=O)c2cccc(C#N)c2)cc1
InChIInChI=1S/C18H19N3O4S/c1-14(22)21(16-5-3-4-15(12-16)13-19)11-10-20-26(23,24)18-8-6-17(25-2)7-9-18/h3-9,12,20H,10-11H2,1-2H3
InChIKeyJGVNAZIGQQUIFZ-UHFFFAOYSA-N
XLogP1.90
TPSA99.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.43
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(1,3-benzodioxol-5-ylsulfonylamino)ethyl]-N-(3-cyanophenyl)acetamide
CID 113064287
N-(3-cyanophenyl)-N-[2-(dimethylsulfamoylamino)ethyl]acetamide
CID 113064269
N-[2-[(4-fluorophenyl)sulfonylamino]ethyl]-N-(4-methoxyphenyl)acetamide
CID 113060704
N-(3,4-dimethoxyphenyl)-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]acetamide
CID 113061350
N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]-N-methylacetamide
CID 11140694
N-(3,4-dimethylphenyl)-N-[2-[(4-ethoxyphenyl)sulfonylamino]ethyl]acetamide
CID 113057963
3-(N-acetyl-3-cyanoanilino)-N-(2,4-dimethoxyphenyl)propanamide
CID 113134960
N-(3,5-dimethylphenyl)-N-[2-[(4-ethoxyphenyl)sulfonylamino]ethyl]acetamide
CID 113058068
N-(3-acetylphenyl)-N-[2-[(4-fluorophenyl)sulfonylamino]ethyl]acetamide
CID 113061610
N-(4-chloro-2-methylphenyl)-N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]acetamide
CID 113059951
N-[2-(N-acetyl-3-cyanoanilino)ethyl]-2-(3,4-dimethoxyphenyl)acetamide
CID 113064241
N-[2-[(4-bromophenyl)sulfonylamino]ethyl]-N-phenylacetamide
CID 113057237

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]acetamide?
The IUPAC name of N-(3-cyanophenyl)-N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]acetamide (CID 113064274) is N-(3-cyanophenyl)-N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]acetamide.
What is the SMILES notation for N-(3-cyanophenyl)-N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]acetamide?
The canonical SMILES for N-(3-cyanophenyl)-N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]acetamide is COc1ccc(S(=O)(=O)NCCN(C(C)=O)c2cccc(C#N)c2)cc1.
What is the InChIKey of N-(3-cyanophenyl)-N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]acetamide?
The InChIKey is JGVNAZIGQQUIFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O4S/c1-14(22)21(16-5-3-4-15(12-16)13-19)11-10-20-26(23,24)18-8-6-17(25-2)7-9-18/h3-9,12,20H,10-11H2,1-2H3.
What are the key properties of N-(3-cyanophenyl)-N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]acetamide?
N-(3-cyanophenyl)-N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]acetamide has a molecular weight of 373.43 g/mol, XLogP of 1.90, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]acetamide is sourced from PubChem (CID 113064274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).