N-(5-ethylsulfonyl-2-hydroxyphenyl)pent-4-enamide

C13H17NO4S — CID 51108082

IUPACN-(5-ethylsulfonyl-2-hydroxyphenyl)pent-4-enamide
SMILESC=CCCC(=O)Nc1cc(S(=O)(=O)CC)ccc1O
InChIInChI=1S/C13H17NO4S/c1-3-5-6-13(16)14-11-9-10(7-8-12(11)15)19(17,18)4-2/h3,7-9,15H,1,4-6H2,2H3,(H,14,16)
InChIKeyBQVFYINFEKAMQY-UHFFFAOYSA-N
MW283.35 g/mol
LogP2.09
Rot. Bonds6

About N-(5-ethylsulfonyl-2-hydroxyphenyl)pent-4-enamide

N-(5-ethylsulfonyl-2-hydroxyphenyl)pent-4-enamide (PubChem CID 51108082) has the molecular formula C13H17NO4S and a molecular weight of 283.35 g/mol. Its IUPAC name is N-(5-ethylsulfonyl-2-hydroxyphenyl)pent-4-enamide.

Molecular Properties

Compound NameN-(5-ethylsulfonyl-2-hydroxyphenyl)pent-4-enamide
PubChem CID51108082
Molecular FormulaC13H17NO4S
Molecular Weight283.35 g/mol
Exact Mass283.09
IUPAC NameN-(5-ethylsulfonyl-2-hydroxyphenyl)pent-4-enamide
SMILESC=CCCC(=O)Nc1cc(S(=O)(=O)CC)ccc1O
InChIInChI=1S/C13H17NO4S/c1-3-5-6-13(16)14-11-9-10(7-8-12(11)15)19(17,18)4-2/h3,7-9,15H,1,4-6H2,2H3,(H,14,16)
InChIKeyBQVFYINFEKAMQY-UHFFFAOYSA-N
XLogP2.09
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-(5-ethylsulfonyl-2-hydroxyphenyl)-2-(methylamino)acetamide
CID 120703363
N-(5-ethylsulfonyl-2-hydroxyphenyl)-4-(4-methoxyphenoxy)butanamide
CID 31618396
methyl N-(5-ethylsulfonyl-2-hydroxyphenyl)carbamate
CID 71211128
3-[(4-tert-butylphenyl)sulfonylamino]-N-(5-ethylsulfonyl-2-hydroxyphenyl)propanamide
CID 55464644
N-(5-ethylsulfonyl-2-hydroxyphenyl)-2-(tetrazol-1-yl)acetamide
CID 681601
4-(4-chloro-2-methylphenoxy)-N-(5-ethylsulfonyl-2-hydroxyphenyl)butanamide
CID 35978441
N-(2-hydroxy-4-methylphenyl)pent-4-enamide
CID 62677203
4-amino-N-(2-hydroxy-5-methylsulfonylphenyl)butanamide
CID 81433885
5-(1,3-benzothiazol-2-yl)-N-(5-ethylsulfonyl-2-hydroxyphenyl)pentanamide
CID 55383684
3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(5-ethylsulfonyl-2-hydroxyphenyl)propanamide
CID 55683955
N-(5-ethylsulfonyl-2-hydroxyphenyl)-2-(2,4,5-trichlorophenoxy)acetamide
CID 35978496
4-(dimethylamino)-N-(5-ethylsulfonyl-2-hydroxyphenyl)benzamide
CID 31618431

Frequently Asked Questions

What is the IUPAC name of N-(5-ethylsulfonyl-2-hydroxyphenyl)pent-4-enamide?
The IUPAC name of N-(5-ethylsulfonyl-2-hydroxyphenyl)pent-4-enamide (CID 51108082) is N-(5-ethylsulfonyl-2-hydroxyphenyl)pent-4-enamide.
What is the SMILES notation for N-(5-ethylsulfonyl-2-hydroxyphenyl)pent-4-enamide?
The canonical SMILES for N-(5-ethylsulfonyl-2-hydroxyphenyl)pent-4-enamide is C=CCCC(=O)Nc1cc(S(=O)(=O)CC)ccc1O.
What is the InChIKey of N-(5-ethylsulfonyl-2-hydroxyphenyl)pent-4-enamide?
The InChIKey is BQVFYINFEKAMQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO4S/c1-3-5-6-13(16)14-11-9-10(7-8-12(11)15)19(17,18)4-2/h3,7-9,15H,1,4-6H2,2H3,(H,14,16).
What are the key properties of N-(5-ethylsulfonyl-2-hydroxyphenyl)pent-4-enamide?
N-(5-ethylsulfonyl-2-hydroxyphenyl)pent-4-enamide has a molecular weight of 283.35 g/mol, XLogP of 2.09, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethylsulfonyl-2-hydroxyphenyl)pent-4-enamide is sourced from PubChem (CID 51108082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).