2-[4-(ethylsulfonylamino)anilino]-N-prop-2-enylpropanamide

C14H21N3O3S — CID 47065396

IUPAC2-[4-(ethylsulfonylamino)anilino]-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)C(C)Nc1ccc(NS(=O)(=O)CC)cc1
InChIInChI=1S/C14H21N3O3S/c1-4-10-15-14(18)11(3)16-12-6-8-13(9-7-12)17-21(19,20)5-2/h4,6-9,11,16-17H,1,5,10H2,2-3H3,(H,15,18)
InChIKeyDXADYCYKZIISKW-UHFFFAOYSA-N
MW311.41 g/mol
LogP1.55
Rot. Bonds8

About 2-[4-(ethylsulfonylamino)anilino]-N-prop-2-enylpropanamide

2-[4-(ethylsulfonylamino)anilino]-N-prop-2-enylpropanamide (PubChem CID 47065396) has the molecular formula C14H21N3O3S and a molecular weight of 311.41 g/mol. Its IUPAC name is 2-[4-(ethylsulfonylamino)anilino]-N-prop-2-enylpropanamide.

Molecular Properties

Compound Name2-[4-(ethylsulfonylamino)anilino]-N-prop-2-enylpropanamide
PubChem CID47065396
Molecular FormulaC14H21N3O3S
Molecular Weight311.41 g/mol
Exact Mass311.13
IUPAC Name2-[4-(ethylsulfonylamino)anilino]-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)C(C)Nc1ccc(NS(=O)(=O)CC)cc1
InChIInChI=1S/C14H21N3O3S/c1-4-10-15-14(18)11(3)16-12-6-8-13(9-7-12)17-21(19,20)5-2/h4,6-9,11,16-17H,1,5,10H2,2-3H3,(H,15,18)
InChIKeyDXADYCYKZIISKW-UHFFFAOYSA-N
XLogP1.55
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 51.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-(4-ethylanilino)-N-prop-2-enylpropanamide
CID 28843279
2-(4-bromoanilino)-N-prop-2-enylpropanamide
CID 43086744
N-prop-2-enyl-2-(4-propoxyanilino)propanamide
CID 62328512
methyl 2-[4-(ethylsulfonylamino)anilino]propanoate
CID 66171933
N-[4-(prop-2-enylamino)phenyl]ethanesulfonamide
CID 112980149
2-[4-(prop-2-enylcarbamoylamino)anilino]-N-(2,2,2-trifluoroethyl)propanamide
CID 86919769
2-(3-chloro-4-methoxyanilino)-N-prop-2-enylpropanamide
CID 43087357
2-chloro-N-[4-(ethylsulfonylamino)phenyl]propanamide
CID 54867179
N-methyl-3-[[1-oxo-1-(prop-2-enylamino)propan-2-yl]amino]benzamide
CID 47120773
2-ethyl-N-[4-(ethylsulfonylamino)phenyl]butanamide
CID 47353320
2-(5-bromo-2-iodoanilino)-N-prop-2-enylpropanamide
CID 114260277
N-prop-2-enyl-2-(4-quinolin-8-yloxyanilino)propanamide
CID 60601662

Frequently Asked Questions

What is the IUPAC name of 2-[4-(ethylsulfonylamino)anilino]-N-prop-2-enylpropanamide?
The IUPAC name of 2-[4-(ethylsulfonylamino)anilino]-N-prop-2-enylpropanamide (CID 47065396) is 2-[4-(ethylsulfonylamino)anilino]-N-prop-2-enylpropanamide.
What is the SMILES notation for 2-[4-(ethylsulfonylamino)anilino]-N-prop-2-enylpropanamide?
The canonical SMILES for 2-[4-(ethylsulfonylamino)anilino]-N-prop-2-enylpropanamide is C=CCNC(=O)C(C)Nc1ccc(NS(=O)(=O)CC)cc1.
What is the InChIKey of 2-[4-(ethylsulfonylamino)anilino]-N-prop-2-enylpropanamide?
The InChIKey is DXADYCYKZIISKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3S/c1-4-10-15-14(18)11(3)16-12-6-8-13(9-7-12)17-21(19,20)5-2/h4,6-9,11,16-17H,1,5,10H2,2-3H3,(H,15,18).
What are the key properties of 2-[4-(ethylsulfonylamino)anilino]-N-prop-2-enylpropanamide?
2-[4-(ethylsulfonylamino)anilino]-N-prop-2-enylpropanamide has a molecular weight of 311.41 g/mol, XLogP of 1.55, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(ethylsulfonylamino)anilino]-N-prop-2-enylpropanamide is sourced from PubChem (CID 47065396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).