2-[(4-aminophenyl)sulfonyl-[2-(2-methylprop-2-enoyloxy)ethyl]amino]ethyl 2-methylprop-2-enoate

C18H24N2O6S — CID 123993867

IUPAC2-[(4-aminophenyl)sulfonyl-[2-(2-methylprop-2-enoyloxy)ethyl]amino]ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCN(CCOC(=O)C(=C)C)S(=O)(=O)c1ccc(N)cc1
InChIInChI=1S/C18H24N2O6S/c1-13(2)17(21)25-11-9-20(10-12-26-18(22)14(3)4)27(23,24)16-7-5-15(19)6-8-16/h5-8H,1,3,9-12,19H2,2,4H3
InChIKeyJWTPJBKWMPIVGO-UHFFFAOYSA-N
MW396.47 g/mol
LogP1.50
Rot. Bonds10

About 2-[(4-aminophenyl)sulfonyl-[2-(2-methylprop-2-enoyloxy)ethyl]amino]ethyl 2-methylprop-2-enoate

2-[(4-aminophenyl)sulfonyl-[2-(2-methylprop-2-enoyloxy)ethyl]amino]ethyl 2-methylprop-2-enoate (PubChem CID 123993867) has the molecular formula C18H24N2O6S and a molecular weight of 396.47 g/mol. Its IUPAC name is 2-[(4-aminophenyl)sulfonyl-[2-(2-methylprop-2-enoyloxy)ethyl]amino]ethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-[(4-aminophenyl)sulfonyl-[2-(2-methylprop-2-enoyloxy)ethyl]amino]ethyl 2-methylprop-2-enoate
PubChem CID123993867
Molecular FormulaC18H24N2O6S
Molecular Weight396.47 g/mol
Exact Mass396.14
IUPAC Name2-[(4-aminophenyl)sulfonyl-[2-(2-methylprop-2-enoyloxy)ethyl]amino]ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCN(CCOC(=O)C(=C)C)S(=O)(=O)c1ccc(N)cc1
InChIInChI=1S/C18H24N2O6S/c1-13(2)17(21)25-11-9-20(10-12-26-18(22)14(3)4)27(23,24)16-7-5-15(19)6-8-16/h5-8H,1,3,9-12,19H2,2,4H3
InChIKeyJWTPJBKWMPIVGO-UHFFFAOYSA-N
XLogP1.50
TPSA116.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.47
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-[(4-aminobenzoyl)-methylamino]ethyl 2-methylprop-2-enoate
CID 142015863
4-amino-N-ethyl-N-(2-methylprop-2-enyl)benzenesulfonamide
CID 43119905
methyl 2-[(4-aminophenyl)sulfonyl-(2-methoxy-2-oxoethyl)amino]acetate
CID 62955213
4-amino-N,N-bis(2-nitrosoethyl)benzenesulfonamide
CID 88560919
4-amino-N-ethyl-N-(3-hydroxypropyl)benzenesulfonamide
CID 113431290
4-[methyl-(4-methylphenyl)sulfonylsulfamoyl]butyl 2-methylprop-2-enoate
CID 23554070
2-[4-[4-[2-(2-methylprop-2-enoyloxy)ethoxy]phenyl]sulfonylphenoxy]ethyl 2-methylprop-2-enoate
CID 22239251
2-[(4-aminobenzoyl)amino]ethyl 2-methylprop-2-enoate
CID 118056637
2-[2-(methanesulfonamido)ethyl-methylsulfonylamino]ethyl 2-methylprop-2-enoate
CID 139970862
2-(dimethylamino)ethyl 2-methylprop-2-enoate;hydrazine
CID 161393762
4-aminobenzenesulfonamide;2-methylprop-2-enoic acid
CID 174803874
methyl 3-[(4-aminophenyl)sulfonyl-(2-methylpropyl)amino]propanoate
CID 61114911

Frequently Asked Questions

What is the IUPAC name of 2-[(4-aminophenyl)sulfonyl-[2-(2-methylprop-2-enoyloxy)ethyl]amino]ethyl 2-methylprop-2-enoate?
The IUPAC name of 2-[(4-aminophenyl)sulfonyl-[2-(2-methylprop-2-enoyloxy)ethyl]amino]ethyl 2-methylprop-2-enoate (CID 123993867) is 2-[(4-aminophenyl)sulfonyl-[2-(2-methylprop-2-enoyloxy)ethyl]amino]ethyl 2-methylprop-2-enoate.
What is the SMILES notation for 2-[(4-aminophenyl)sulfonyl-[2-(2-methylprop-2-enoyloxy)ethyl]amino]ethyl 2-methylprop-2-enoate?
The canonical SMILES for 2-[(4-aminophenyl)sulfonyl-[2-(2-methylprop-2-enoyloxy)ethyl]amino]ethyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCN(CCOC(=O)C(=C)C)S(=O)(=O)c1ccc(N)cc1.
What is the InChIKey of 2-[(4-aminophenyl)sulfonyl-[2-(2-methylprop-2-enoyloxy)ethyl]amino]ethyl 2-methylprop-2-enoate?
The InChIKey is JWTPJBKWMPIVGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O6S/c1-13(2)17(21)25-11-9-20(10-12-26-18(22)14(3)4)27(23,24)16-7-5-15(19)6-8-16/h5-8H,1,3,9-12,19H2,2,4H3.
What are the key properties of 2-[(4-aminophenyl)sulfonyl-[2-(2-methylprop-2-enoyloxy)ethyl]amino]ethyl 2-methylprop-2-enoate?
2-[(4-aminophenyl)sulfonyl-[2-(2-methylprop-2-enoyloxy)ethyl]amino]ethyl 2-methylprop-2-enoate has a molecular weight of 396.47 g/mol, XLogP of 1.50, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-aminophenyl)sulfonyl-[2-(2-methylprop-2-enoyloxy)ethyl]amino]ethyl 2-methylprop-2-enoate is sourced from PubChem (CID 123993867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).