N-(2-cyanophenyl)-2-[(4-propan-2-yloxyphenyl)sulfonylamino]acetamide

C18H19N3O4S — CID 113001906

IUPACN-(2-cyanophenyl)-2-[(4-propan-2-yloxyphenyl)sulfonylamino]acetamide
SMILESCC(C)Oc1ccc(S(=O)(=O)NCC(=O)Nc2ccccc2C#N)cc1
InChIInChI=1S/C18H19N3O4S/c1-13(2)25-15-7-9-16(10-8-15)26(23,24)20-12-18(22)21-17-6-4-3-5-14(17)11-19/h3-10,13,20H,12H2,1-2H3,(H,21,22)
InChIKeyZRNFBIMFMPSXNZ-UHFFFAOYSA-N
MW373.43 g/mol
LogP2.26
Rot. Bonds7

About N-(2-cyanophenyl)-2-[(4-propan-2-yloxyphenyl)sulfonylamino]acetamide

N-(2-cyanophenyl)-2-[(4-propan-2-yloxyphenyl)sulfonylamino]acetamide (PubChem CID 113001906) has the molecular formula C18H19N3O4S and a molecular weight of 373.43 g/mol. Its IUPAC name is N-(2-cyanophenyl)-2-[(4-propan-2-yloxyphenyl)sulfonylamino]acetamide.

Molecular Properties

Compound NameN-(2-cyanophenyl)-2-[(4-propan-2-yloxyphenyl)sulfonylamino]acetamide
PubChem CID113001906
Molecular FormulaC18H19N3O4S
Molecular Weight373.43 g/mol
Exact Mass373.11
IUPAC NameN-(2-cyanophenyl)-2-[(4-propan-2-yloxyphenyl)sulfonylamino]acetamide
SMILESCC(C)Oc1ccc(S(=O)(=O)NCC(=O)Nc2ccccc2C#N)cc1
InChIInChI=1S/C18H19N3O4S/c1-13(2)25-15-7-9-16(10-8-15)26(23,24)20-12-18(22)21-17-6-4-3-5-14(17)11-19/h3-10,13,20H,12H2,1-2H3,(H,21,22)
InChIKeyZRNFBIMFMPSXNZ-UHFFFAOYSA-N
XLogP2.26
TPSA108.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.43
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-cyanophenyl)-2-[(4-ethylphenyl)sulfonylamino]acetamide
CID 113001872
N-(2-cyanophenyl)-2-[(4-methoxy-3-methylphenyl)sulfonylamino]acetamide
CID 113001879
N-(4-methoxyphenyl)-2-[(4-propan-2-yloxyphenyl)sulfonylamino]acetamide
CID 112998764
N-(2-cyanophenyl)-2-[(2,4-dimethoxyphenyl)sulfonylamino]acetamide
CID 113001883
N-(2-cyanophenyl)-2-[(2,4,6-trimethylphenyl)sulfonylamino]acetamide
CID 113001875
N-(4-ethoxyphenyl)-2-[(4-propan-2-yloxyphenyl)sulfonylamino]acetamide
CID 112998900
[2-(2-cyanoanilino)-2-oxoethyl] (2R)-2-[(4-methylphenyl)sulfonylamino]propanoate
CID 2455479
N-(2-cyanophenyl)-2-[(2,5-dimethylphenyl)sulfonylamino]acetamide
CID 113001871
3-(benzenesulfonamido)-N-(2-cyanophenyl)propanamide
CID 17225888
N-(2-cyanophenyl)-2-[4-(2-phenylethylsulfamoyl)phenoxy]acetamide
CID 122189465
N-(3,4-difluorophenyl)-2-[(4-propan-2-yloxyphenyl)sulfonylamino]acetamide
CID 113002373
[2-(2-cyanoanilino)-2-oxoethyl] 3-[(4-ethoxyphenyl)sulfonylamino]propanoate
CID 2559727

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanophenyl)-2-[(4-propan-2-yloxyphenyl)sulfonylamino]acetamide?
The IUPAC name of N-(2-cyanophenyl)-2-[(4-propan-2-yloxyphenyl)sulfonylamino]acetamide (CID 113001906) is N-(2-cyanophenyl)-2-[(4-propan-2-yloxyphenyl)sulfonylamino]acetamide.
What is the SMILES notation for N-(2-cyanophenyl)-2-[(4-propan-2-yloxyphenyl)sulfonylamino]acetamide?
The canonical SMILES for N-(2-cyanophenyl)-2-[(4-propan-2-yloxyphenyl)sulfonylamino]acetamide is CC(C)Oc1ccc(S(=O)(=O)NCC(=O)Nc2ccccc2C#N)cc1.
What is the InChIKey of N-(2-cyanophenyl)-2-[(4-propan-2-yloxyphenyl)sulfonylamino]acetamide?
The InChIKey is ZRNFBIMFMPSXNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O4S/c1-13(2)25-15-7-9-16(10-8-15)26(23,24)20-12-18(22)21-17-6-4-3-5-14(17)11-19/h3-10,13,20H,12H2,1-2H3,(H,21,22).
What are the key properties of N-(2-cyanophenyl)-2-[(4-propan-2-yloxyphenyl)sulfonylamino]acetamide?
N-(2-cyanophenyl)-2-[(4-propan-2-yloxyphenyl)sulfonylamino]acetamide has a molecular weight of 373.43 g/mol, XLogP of 2.26, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanophenyl)-2-[(4-propan-2-yloxyphenyl)sulfonylamino]acetamide is sourced from PubChem (CID 113001906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).