N-(2-cyanophenyl)-2-[(4-ethylphenyl)sulfonylamino]acetamide

C17H17N3O3S — CID 113001872

IUPACN-(2-cyanophenyl)-2-[(4-ethylphenyl)sulfonylamino]acetamide
SMILESCCc1ccc(S(=O)(=O)NCC(=O)Nc2ccccc2C#N)cc1
InChIInChI=1S/C17H17N3O3S/c1-2-13-7-9-15(10-8-13)24(22,23)19-12-17(21)20-16-6-4-3-5-14(16)11-18/h3-10,19H,2,12H2,1H3,(H,20,21)
InChIKeySBTWKGHRGNLBNQ-UHFFFAOYSA-N
MW343.41 g/mol
LogP2.04
Rot. Bonds6

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

N-(2-cyanophenyl)-2-[(4-ethylphenyl)sulfonylamino]acetamide (PubChem CID 113001872) has the molecular formula C17H17N3O3S and a molecular weight of 343.41 g/mol. Its IUPAC name is N-(2-cyanophenyl)-2-[(4-ethylphenyl)sulfonylamino]acetamide.

Molecular Properties

Compound NameN-(2-cyanophenyl)-2-[(4-ethylphenyl)sulfonylamino]acetamide
PubChem CID113001872
Molecular FormulaC17H17N3O3S
Molecular Weight343.41 g/mol
Exact Mass343.10
IUPAC NameN-(2-cyanophenyl)-2-[(4-ethylphenyl)sulfonylamino]acetamide
SMILESCCc1ccc(S(=O)(=O)NCC(=O)Nc2ccccc2C#N)cc1
InChIInChI=1S/C17H17N3O3S/c1-2-13-7-9-15(10-8-13)24(22,23)19-12-17(21)20-16-6-4-3-5-14(16)11-18/h3-10,19H,2,12H2,1H3,(H,20,21)
InChIKeySBTWKGHRGNLBNQ-UHFFFAOYSA-N
XLogP2.04
TPSA99.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-ethylphenyl)sulfonylamino]-N-(2-methylphenyl)acetamide
CID 112996082
N-(2-cyanophenyl)-2-[(4-propan-2-yloxyphenyl)sulfonylamino]acetamide
CID 113001906
N-(2-cyanophenyl)-2-[(4-methoxy-3-methylphenyl)sulfonylamino]acetamide
CID 113001879
N-(2-cyanophenyl)-2-[(2,4,6-trimethylphenyl)sulfonylamino]acetamide
CID 113001875
N-(2-cyanophenyl)-2-[(2,5-dimethylphenyl)sulfonylamino]acetamide
CID 113001871
3-(benzenesulfonamido)-N-(2-cyanophenyl)propanamide
CID 17225888
3-[(4-bromophenyl)sulfonylamino]-N-(2-cyanophenyl)propanamide
CID 17192424
N-(2-cyanophenyl)-2-[(2-oxo-1,3-dihydroindol-5-yl)sulfonylamino]acetamide
CID 113001900
N-(2-cyanophenyl)-2-(methylamino)acetamide
CID 24697085
ethyl 4-[[2-(2-methylanilino)-2-oxoethyl]sulfamoyl]benzoate
CID 9342016
N-(2-cyanophenyl)-2-[(2,4-dimethoxyphenyl)sulfonylamino]acetamide
CID 113001883
N-(4-bromophenyl)-2-[(4-ethylphenyl)sulfonylamino]acetamide
CID 112998475

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanophenyl)-2-[(4-ethylphenyl)sulfonylamino]acetamide?
The IUPAC name of N-(2-cyanophenyl)-2-[(4-ethylphenyl)sulfonylamino]acetamide (CID 113001872) is N-(2-cyanophenyl)-2-[(4-ethylphenyl)sulfonylamino]acetamide.
What is the SMILES notation for N-(2-cyanophenyl)-2-[(4-ethylphenyl)sulfonylamino]acetamide?
The canonical SMILES for N-(2-cyanophenyl)-2-[(4-ethylphenyl)sulfonylamino]acetamide is CCc1ccc(S(=O)(=O)NCC(=O)Nc2ccccc2C#N)cc1.
What is the InChIKey of N-(2-cyanophenyl)-2-[(4-ethylphenyl)sulfonylamino]acetamide?
The InChIKey is SBTWKGHRGNLBNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3S/c1-2-13-7-9-15(10-8-13)24(22,23)19-12-17(21)20-16-6-4-3-5-14(16)11-18/h3-10,19H,2,12H2,1H3,(H,20,21).
What are the key properties of N-(2-cyanophenyl)-2-[(4-ethylphenyl)sulfonylamino]acetamide?
N-(2-cyanophenyl)-2-[(4-ethylphenyl)sulfonylamino]acetamide has a molecular weight of 343.41 g/mol, XLogP of 2.04, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanophenyl)-2-[(4-ethylphenyl)sulfonylamino]acetamide is sourced from PubChem (CID 113001872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).